data_[Zr8Os2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8817]
_cell_length_b [6.0900]
_cell_length_c [6.4115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Zr4OsO]
_chemical_formula_sum '[Zr8 Os2 O2]'
_cell_volume [226.6081]
_cell_formula_units_Z [2]
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  0.1174  0.1533  0.6811  1
  Zr  Zr1  4  0.3368  0.6366  0.6182  1
  Os  Os2  2  0.5000  0.0000  0.5000  1
  O  O3  2  0.0000  0.0000  0.0000  1
]