data_[Hf6Be6Os6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Be  1.5700  1.0500  0.5900
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [11.7325]
_cell_length_b [3.2653]
_cell_length_c [6.7575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [HfBeOs]
_chemical_formula_sum '[Hf6 Be6 Os6]'
_cell_volume [258.8803]
_cell_formula_units_Z [6]
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
[
  Hf  Hf0  4  0.0522  0.0000  0.7346  1
  Hf  Hf1  2  0.2500  0.0000  0.1542  1
  Be  Be2  4  0.0873  0.5000  0.0526  1
  Be  Be3  2  0.2500  0.0000  0.5477  1
  Os  Os4  4  0.1244  0.5000  0.4149  1
  Os  Os5  2  0.2500  0.5000  0.8039  1
]