data_[Zr14Os6]
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
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [9.2958]
_cell_length_b [9.2958]
_cell_length_c [5.7138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Zr7Os3]
_chemical_formula_sum '[Zr14 Os6]'
_cell_volume [427.5866]
_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  6  0.0706  0.5353  0.8636  1.0
  Zr  Zr1  6  0.1301  0.2603  0.5900  1.0
  Zr  Zr2  2  0.3333  0.6667  0.3699  1.0
  Os  Os3  6  0.1875  0.3749  0.1205  1.0
]