data_[Cr2Ir3Os3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ir  2.2000  1.3500  0.7650
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4094]
_cell_length_b [4.2798]
_cell_length_c [5.4317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7950]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cr2(IrOs)3]
_chemical_formula_sum '[Cr2 Ir3 Os3]'
_cell_volume [109.1266]
_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  0.3338  0.5000  0.6612  1
  Cr  Cr1  1  0.6638  0.0000  0.3389  1
  Ir  Ir2  1  0.1690  0.0000  0.8307  1
  Os  Os3  1  0.1743  0.0000  0.3404  1
  Ir  Ir4  1  0.3385  0.5000  0.1724  1
  Os  Os5  1  0.6601  0.0000  0.8240  1
  Os  Os6  1  0.8273  0.5000  0.6602  1
  Ir  Ir7  1  0.8331  0.5000  0.1721  1
]