data_[Er16Sc4In2]
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 [C2/m]
_cell_length_a [17.4439]
_cell_length_b [4.8670]
_cell_length_c [7.7346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8Sc2In]
_chemical_formula_sum '[Er16 Sc4 In2]'
_cell_volume [630.9082]
_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  0.0459  0.0000  0.7244  1.0
  Er  Er1  4  0.0942  0.5000  0.4485  1.0
  Er  Er2  4  0.1378  0.0000  0.1849  1.0
  Er  Er3  4  0.1821  0.5000  0.9122  1.0
  Sc  Sc4  4  0.2241  0.0000  0.6338  1.0
  In  In5  2  0.0000  0.5000  0.0000  1.0
]