data_[Zr12Os4O2]
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 [5.9724]
_cell_length_b [6.5296]
_cell_length_c [10.6377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3304]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Zr6Os2O]
_chemical_formula_sum '[Zr12 Os4 O2]'
_cell_volume [354.3467]
_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  0.1245  0.1829  0.4432  1.0
  Zr  Zr1  4  0.2719  0.6811  0.4435  1.0
  Zr  Zr2  4  0.3745  0.0258  0.2524  1.0
  Os  Os3  4  0.1836  0.1086  0.7385  1.0
  O  O4  2  0.5000  0.0000  0.5000  1.0
]