data_CrCo2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.53
_cell_length_b   3.68
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   91.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCo2Os
_chemical_formula_sum   'Cr1 Co2 Os1'
_cell_volume   46.8
_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  Cr2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.2  0.84  0.78  1.0
  Co  Co1  1  0.23  0.84  0.23  1.0
  Os  Os3  1  0.95  0.0  0.51  1.0

data_CrCo2Os
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.53
_cell_length_b   5.01
_cell_length_c   3.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CrCo2Os
_chemical_formula_sum   'Cr1 Co2 Os1'
_cell_volume   46.81
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Co  Co1  2  0.2  0.22  0.84  1.0
  Os  Os2  1  0.95  0.5  0.0  1.0

Cr Co Co Os