data_CrPt2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   5.24
_cell_angle_alpha   101.74
_cell_angle_beta   101.74
_cell_angle_gamma   40.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPt2Pb
_chemical_formula_sum   'Cr1 Pt2 Pb1'
_cell_volume   71.41
_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  0.78  0.0  0.95  1.0
  Pt  Pt2  1  0.55  0.0  0.91  1.0
  Pt  Pt3  1  0.29  0.0  0.66  1.0
  Pb  Pb1  1  0.26  0.0  0.28  1.0

data_CrPt2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.63
_cell_length_c   5.24
_cell_angle_alpha   101.74
_cell_angle_beta   90.0
_cell_angle_gamma   110.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPt2Pb
_chemical_formula_sum   'Cr1 Pt2 Pb1'
_cell_volume   71.41
_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  0.22  0.05  1.0
  Pt  Pt1  1  0.0  0.45  0.09  1.0
  Pt  Pt2  1  0.0  0.71  0.34  1.0
  Pb  Pb3  1  0.0  0.74  0.72  1.0

Cr Pt Pt Pb
Cr Pt Pt Pb 0 1 o o o 1 2 o o o 2 3 o o o 