data_[Er6Sc8In8]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0710]
_cell_length_b [6.7837]
_cell_length_c [16.5046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Er3(ScIn)4]
_chemical_formula_sum '[Er6 Sc8 In8]'
_cell_volume [567.7665]
_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  0.0000  0.0000  0.1095  1
  Er  Er1  2  0.0000  0.5000  0.0000  1
  Sc  Sc2  8  0.0000  0.2280  0.3204  1
  In  In3  4  0.0000  0.2819  0.5000  1
  In  In4  4  0.0000  0.5000  0.1824  1
]