data_[Er16Cr16Os16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cr  1.6600  1.4000  0.9400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [4.7848]
_cell_length_b [10.3835]
_cell_length_c [18.9196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [ErCrOs]
_chemical_formula_sum '[Er16 Cr16 Os16]'
_cell_volume [939.9947]
_cell_formula_units_Z [16]
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  0.0000  0.1478  0.0000  1
  Cr  Cr1  16  0.0000  0.0000  0.4086  1
  Os  Os2  16  0.0000  0.0000  0.1267  1
]