data_[Re1Ir2Os1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ir  2.2000  1.3500  0.7650
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.3130]
_cell_length_b [3.3130]
_cell_length_c [5.4637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [ReIr2Os]
_chemical_formula_sum '[Re1 Ir2 Os1]'
_cell_volume [59.9687]
_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
[
  Re  Re0  1  0.5000  0.5000  0.7504  1
  Ir  Ir1  1  0.0000  0.0000  0.0033  1
  Os  Os2  1  0.0000  0.0000  0.4967  1
  Ir  Ir3  1  0.5000  0.5000  0.2495  1
]