data_CrPb2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   39.64
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPb2Se
_chemical_formula_sum   'Cr1 Pb2 Se1'
_cell_volume   101.62
_cell_formula_units_Z   1
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
  Cr  Cr0  1  0.0  0.0  0.61  1.0
  Pb  Pb1  1  0.2  0.0  0.35  1.0
  Pb  Pb2  1  0.0  0.0  0.66  1.0
  Se  Se3  1  0.2  0.0  0.2  1.0

data_CrPb2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.39
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   109.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPb2Se
_chemical_formula_sum   'Cr1 Pb2 Se1'
_cell_volume   101.62
_cell_formula_units_Z   1
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
  Cr  Cr0  1  0.39  0.0  0.39  1.0
  Pb  Pb1  1  0.34  0.0  0.34  1.0
  Pb  Pb2  1  0.65  0.2  0.65  1.0
  Se  Se3  1  0.8  0.2  0.8  1.0

Cr Pb Pb Se