data_[Er8Sc8As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7390]
_cell_length_b [3.9625]
_cell_length_c [9.8892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErScAs]
_chemical_formula_sum '[Er8 Sc8 As8]'
_cell_volume [577.5442]
_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
[
  Er  Er0  4  0.0475  0.0000  0.3616  1
  Er  Er1  4  0.0914  0.5000  0.8586  1
  Sc  Sc2  4  0.1911  0.0000  0.0816  1
  Sc  Sc3  4  0.2381  0.0000  0.6552  1
  As  As4  4  0.0969  0.5000  0.1772  1
  As  As5  4  0.1194  0.5000  0.5606  1
]