data_[Er20Sn4Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sn  1.9600  1.4500  0.8300
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.5198]
_cell_length_b [7.5198]
_cell_length_c [14.3909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Er5SnOs2]
_chemical_formula_sum '[Er20 Sn4 Os8]'
_cell_volume [813.7755]
_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  16  0.1742  0.3258  0.6322  1
  Er  Er1  4  0.0000  0.0000  0.0000  1
  Sn  Sn2  4  0.0000  0.0000  0.2500  1
  Os  Os3  8  0.1203  0.3797  0.0000  1
]