# generated using pymatgen
data_LiCaPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94900786
_cell_length_b   4.94900786
_cell_length_c   10.96176079
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001286
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaPb
_chemical_formula_sum   'Li3 Ca3 Pb3'
_cell_volume   232.51296991
_cell_formula_units_Z   3
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  0.66666700  0.33333300  0.80445157  1
  Li  Li1  1  0.33333300  0.66666700  0.50000000  1
  Li  Li2  1  0.66666700  0.33333300  0.19554843  1
  Ca  Ca3  1  -0.00000000  -0.00000000  0.33345810  1
  Ca  Ca4  1  0.00000000  -0.00000000  0.66654190  1
  Ca  Ca5  1  0.00000000  -0.00000000  0.00000000  1
  Pb  Pb6  1  0.33333300  0.66666700  0.15155337  1
  Pb  Pb7  1  0.33333300  0.66666700  0.84844663  1
  Pb  Pb8  1  0.66666700  0.33333300  0.50000000  1
