# generated using pymatgen
data_LiCaN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64796900
_cell_length_b   5.52501055
_cell_length_c   8.47816147
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaN
_chemical_formula_sum   'Li4 Ca4 N4'
_cell_volume   170.87791425
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.25000000  0.57470608  0.04709782  1
  Li  Li1  1  0.75000000  0.42529392  0.95290218  1
  Li  Li2  1  0.75000000  0.07470608  0.45290218  1
  Li  Li3  1  0.25000000  0.92529392  0.54709782  1
  Ca  Ca4  1  0.25000000  0.47404325  0.65602265  1
  Ca  Ca5  1  0.75000000  0.97404325  0.84397735  1
  Ca  Ca6  1  0.25000000  0.02595675  0.15602265  1
  Ca  Ca7  1  0.75000000  0.52595675  0.34397735  1
  N  N8  1  0.75000000  0.73867475  0.09223915  1
  N  N9  1  0.75000000  0.76132525  0.59223915  1
  N  N10  1  0.25000000  0.26132525  0.90776085  1
  N  N11  1  0.25000000  0.23867475  0.40776085  1