# generated using pymatgen
data_Ca5Bi2PbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33726253
_cell_length_b   9.45499166
_cell_length_c   7.14197645
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.59054506
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Bi2PbBr
_chemical_formula_sum   'Ca10 Bi4 Pb2 Br2'
_cell_volume   548.28566633
_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  0.74882998  0.99999431  0.75000000  1.0
  Ca  Ca1  1  0.99686914  0.26432247  0.25000000  1.0
  Ca  Ca2  1  0.73260409  0.73574115  0.25000000  1.0
  Ca  Ca3  1  0.33040192  0.66078194  0.50000261  1.0
  Ca  Ca4  1  0.33040192  0.66078194  0.99999739  1.0
  Ca  Ca5  1  0.66959808  0.33921806  0.49999739  1.0
  Ca  Ca6  1  0.66959808  0.33921806  0.00000261  1.0
  Ca  Ca7  1  0.25117002  0.00000569  0.25000000  1.0
  Ca  Ca8  1  0.26739591  0.26425885  0.75000000  1.0
  Ca  Ca9  1  0.00313086  0.73567753  0.75000000  1.0
  Bi  Bi10  1  0.99828137  0.61092024  0.25000000  1.0
  Bi  Bi11  1  0.61268520  0.61089912  0.75000000  1.0
  Bi  Bi12  1  0.00171863  0.38907976  0.75000000  1.0
  Bi  Bi13  1  0.38731480  0.38910088  0.25000000  1.0
  Pb  Pb14  1  0.41291811  0.99995234  0.75000000  1.0
  Pb  Pb15  1  0.58708189  0.00004766  0.25000000  1.0
  Br  Br16  1  0.00000000  0.00000000  0.50000000  1.0
  Br  Br17  1  0.00000000  0.00000000  0.00000000  1.0