# generated using pymatgen
data_Ca5CuPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.62567022
_cell_length_b   9.62567022
_cell_length_c   6.77471600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000150
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5CuPb3
_chemical_formula_sum   'Ca10 Cu2 Pb6'
_cell_volume   543.60529198
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.74542900  0.74542900  0.25000000  1.0
  Ca  Ca1  1  0.33333300  0.66666700  0.50000000  1.0
  Ca  Ca2  1  0.25457100  0.25457100  0.75000000  1.0
  Ca  Ca3  1  0.25457100  0.00000000  0.25000000  1.0
  Ca  Ca4  1  0.66666700  0.33333300  0.00000000  1.0
  Ca  Ca5  1  0.74542900  0.00000000  0.75000000  1.0
  Ca  Ca6  1  0.00000000  0.25457100  0.25000000  1.0
  Ca  Ca7  1  0.66666700  0.33333300  0.50000000  1.0
  Ca  Ca8  1  0.00000000  0.74542900  0.75000000  1.0
  Ca  Ca9  1  0.33333300  0.66666700  0.00000000  1.0
  Cu  Cu10  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu11  1  0.00000000  0.00000000  0.00000000  1.0
  Pb  Pb12  1  0.59643400  0.00000000  0.25000000  1.0
  Pb  Pb13  1  0.59643400  0.59643400  0.75000000  1.0
  Pb  Pb14  1  0.00000000  0.59643400  0.25000000  1.0
  Pb  Pb15  1  0.40356600  0.40356600  0.25000000  1.0
  Pb  Pb16  1  0.00000000  0.40356600  0.75000000  1.0
  Pb  Pb17  1  0.40356600  0.00000000  0.75000000  1.0