data_[Zn1Ir1Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.7709]
_cell_length_b [3.8098]
_cell_length_c [5.4230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [ZnIrOs2]
_chemical_formula_sum '[Zn1 Ir1 Os2]'
_cell_volume [57.2486]
_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
[
  Zn  Zn0  1  0.5000  0.5000  0.5073  1
  Os  Os1  1  0.0000  0.0000  0.2392  1
  Ir  Ir2  1  0.0000  0.0000  0.7375  1
  Os  Os3  1  0.5000  0.5000  0.0159  1
]