data_Cr2IrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.64
_cell_angle_alpha   99.74
_cell_angle_beta   99.74
_cell_angle_gamma   34.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2IrOs
_chemical_formula_sum   'Cr2 Ir1 Os1'
_cell_volume   53.03
_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  0.56  0.0  0.42  1.0
  Cr  Cr1  1  0.34  0.0  0.14  1.0
  Ir  Ir2  1  0.95  0.0  0.28  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

data_Cr2IrOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.56
_cell_length_c   4.64
_cell_angle_alpha   99.74
_cell_angle_beta   90.0
_cell_angle_gamma   107.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2IrOs
_chemical_formula_sum   'Cr2 Ir1 Os1'
_cell_volume   53.03
_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  0.44  0.58  1.0
  Cr  Cr1  1  0.0  0.66  0.86  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.05  0.72  1.0

Cr Cr Ir Os