data_[Er10Sc2Sb8]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2912]
_cell_length_b [4.2197]
_cell_length_c [8.2227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4940]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er5ScSb4]
_chemical_formula_sum '[Er10 Sc2 Sb8]'
_cell_volume [611.6009]
_cell_formula_units_Z [2]
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  0.1655  0.0000  0.8152  1
  Er  Er1  4  0.1785  0.0000  0.3520  1
  Er  Er2  2  0.0000  0.5000  0.5000  1
  Sc  Sc3  2  0.0000  0.5000  0.0000  1
  Sb  Sb4  4  0.0066  0.0000  0.2484  1
  Sb  Sb5  4  0.1651  0.5000  0.0805  1
]