data_[Er8B16Os20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  B  2.0400  0.8500  0.4100
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.4596]
_cell_length_b [9.7322]
_cell_length_c [11.5614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Er2B4Os5]
_chemical_formula_sum '[Er8 B16 Os20]'
_cell_volume [614.2973]
_cell_formula_units_Z [4]
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
[
  Er  Er0  8  0.0000  0.0000  0.1409  1.0
  B  B1  16  0.0000  0.1547  0.3652  1.0
  Os  Os2  8  0.2500  0.2500  0.0000  1.0
  Os  Os3  8  0.2500  0.2500  0.2500  1.0
  Os  Os4  4  0.0000  0.0000  0.5000  1.0
]