data_[Zr8Al8Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.4365]
_cell_length_b [5.3549]
_cell_length_c [9.1425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ZrAlOs]
_chemical_formula_sum '[Zr8 Al8 Os8]'
_cell_volume [413.0277]
_cell_formula_units_Z [8]
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  0.2019  0.0000  0.6648  1.0
  Zr  Zr1  4  0.3207  0.0000  0.3270  1.0
  Al  Al2  4  0.0000  0.2427  0.4138  1.0
  Al  Al3  4  0.2506  0.0000  0.0053  1.0
  Os  Os4  4  0.5000  0.2465  0.5863  1.0
  Os  Os5  2  0.0000  0.0000  0.1696  1.0
  Os  Os6  2  0.5000  0.0000  0.8360  1.0
]