data_Cr2SiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   3.04
_cell_angle_alpha   95.15
_cell_angle_beta   95.15
_cell_angle_gamma   101.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2SiPb
_chemical_formula_sum   'Cr2 Si1 Pb1'
_cell_volume   65.9
_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  0.29  0.18  0.5  1.0
  Cr  Cr1  1  0.29  0.82  0.5  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.01  0.0  0.0  1.0

data_Cr2SiPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   101.0
_cell_angle_beta   95.15
_cell_angle_gamma   95.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2SiPb
_chemical_formula_sum   'Cr2 Si1 Pb1'
_cell_volume   65.9
_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  0.5  0.29  0.18  1.0
  Cr  Cr1  1  0.5  0.29  0.82  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.01  0.0  1.0

Cr Cr Si Pb
Cr Cr Si Pb 0 3 o o o 0 2 o o o 0 1 o - o 2 3 o o o 