data_[Zr8Nb8Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Nb  1.6000  1.4500  0.8200
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.6585]
_cell_length_b [5.4983]
_cell_length_c [9.4436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ZrNbOs]
_chemical_formula_sum '[Zr8 Nb8 Os8]'
_cell_volume [449.5873]
_cell_formula_units_Z [8]
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  4  0.1760  0.0000  0.6662  1.0
  Zr  Zr1  4  0.3046  0.0000  0.3311  1.0
  Nb  Nb2  4  0.2350  0.0000  0.9961  1.0
  Nb  Nb3  4  0.5000  0.2441  0.5873  1.0
  Os  Os4  4  0.0000  0.2362  0.4146  1.0
  Os  Os5  2  0.0000  0.0000  0.1756  1.0
  Os  Os6  2  0.5000  0.0000  0.8339  1.0
]