data_[Zr3In3Os3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.7059]
_cell_length_b [7.7059]
_cell_length_c [3.3599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [ZrInOs]
_chemical_formula_sum '[Zr3 In3 Os3]'
_cell_volume [172.7866]
_cell_formula_units_Z [3]
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
[
  Zr  Zr0  3  0.0000  0.6094  0.5000  1
  In  In1  3  0.0000  0.2781  0.0000  1
  Os  Os2  2  0.3333  0.6667  0.0000  1
  Os  Os3  1  0.0000  0.0000  0.5000  1
]