data_[Zr16Zn4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8987]
_cell_length_b [4.8164]
_cell_length_c [7.0346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4404]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr8Zn2Os]
_chemical_formula_sum '[Zr16 Zn4 Os2]'
_cell_volume [459.5564]
_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  0.0244  0.0000  0.7816  1.0
  Zr  Zr1  4  0.0965  0.5000  0.4316  1.0
  Zr  Zr2  4  0.1638  0.5000  0.9239  1.0
  Zr  Zr3  4  0.1811  0.0000  0.2530  1.0
  Zn  Zn4  4  0.1877  0.0000  0.6593  1.0
  Os  Os5  2  0.0000  0.5000  0.0000  1.0
]