data_[Er10Sc4In10]
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 [11.5904]
_cell_length_b [5.0119]
_cell_length_c [11.6821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0121]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er5Sc2In5]
_chemical_formula_sum '[Er10 Sc4 In10]'
_cell_volume [633.4877]
_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  0.1300  0.5000  0.2720  1
  Er  Er1  4  0.1540  0.5000  0.0001  1
  Er  Er2  2  0.0000  0.5000  0.5000  1
  Sc  Sc3  4  0.0759  0.0000  0.7591  1
  In  In4  4  0.1637  0.0000  0.4599  1
  In  In5  4  0.2258  0.5000  0.7714  1
  In  In6  2  0.0000  0.0000  0.0000  1
]