data_[Zr13Os2]
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 [P-1]
_cell_length_a [6.0084]
_cell_length_b [7.5273]
_cell_length_c [8.4389]
_cell_angle_alpha [63.9798]
_cell_angle_beta [89.3590]
_cell_angle_gamma [79.8465]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Zr13Os2]
_chemical_formula_sum '[Zr13 Os2]'
_cell_volume [336.6652]
_cell_formula_units_Z [1]
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  2  0.0420  0.5520  0.6687  1.0
  Zr  Zr1  2  0.1965  0.9903  0.6324  1.0
  Zr  Zr2  2  0.2387  0.6032  0.9899  1.0
  Zr  Zr3  2  0.2651  0.1410  0.2230  1.0
  Zr  Zr4  2  0.4359  0.2085  0.8511  1.0
  Zr  Zr5  2  0.4690  0.3496  0.4193  1.0
  Zr  Zr6  1  0.0000  0.0000  0.0000  1.0
  Os  Os7  2  0.1867  0.7503  0.3323  1.0
]