data_CrOs2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrOs2Pb
_chemical_formula_sum   'Cr1 Os2 Pb1'
_cell_volume   69.17
_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  0.0  1.0
  Os  Os1  1  0.58  0.0  0.85  1.0
  Os  Os2  1  0.58  0.0  0.39  1.0
  Pb  Pb3  1  0.0  0.0  0.62  1.0

data_CrOs2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrOs2Pb
_chemical_formula_sum   'Cr1 Os2 Pb1'
_cell_volume   69.17
_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  0.0  1.0
  Os  Os1  1  0.58  0.0  0.39  1.0
  Os  Os2  1  0.58  0.0  0.85  1.0
  Pb  Pb3  1  0.0  0.0  0.62  1.0

Cr Os Os Pb
Cr Os Os Pb 0 1 - o - 0 1 o o - 1 3 + o o 1 3 o o o 2 2 + + o 2 2 o + o 2 2 + o o 2 3 o o o 2 3 + o o 3 3 + + o 3 3 o + o 3 3 + o o 