data_Ir3Os2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir3Os2
_chemical_formula_sum   'Ir3 Os2'
_cell_volume   82.09
_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
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.12  0.23  0.28  1.0
  Ir  Ir2  1  0.0  0.45  0.97  1.0
  Os  Os3  1  0.12  0.23  0.69  1.0
  Os  Os4  1  0.0  0.45  0.57  1.0

data_Ir3Os2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir3Os2
_chemical_formula_sum   'Ir3 Os2'
_cell_volume   82.09
_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
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.45  0.57  1.0
  Ir  Ir2  1  0.0  0.45  0.97  1.0
  Ir  Ir3  1  0.12  0.23  0.28  1.0
  Os  Os4  1  0.12  0.23  0.69  1.0

Ir Ir Ir Os Os
Ir Ir Ir Os Os 0 2 o o - 0 2 o - - 0 3 o o - 0 1 o o o 1 2 o o - 1 4 o o o 1 3 o o o 2 3 o o o 2 4 o o o 3 4 o o o 