data_[Er2Sc13]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0991]
_cell_length_b [8.2954]
_cell_length_c [8.3132]
_cell_angle_alpha [66.0543]
_cell_angle_beta [80.9318]
_cell_angle_gamma [81.4009]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Er2Sc13]
_chemical_formula_sum '[Er2 Sc13]'
_cell_volume [377.8929]
_cell_formula_units_Z [1]
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  2  0.0850  0.7997  0.4197  1.0
  Sc  Sc1  2  0.1102  0.4493  0.7484  1.0
  Sc  Sc2  2  0.1923  0.2148  0.1843  1.0
  Sc  Sc3  2  0.2889  0.6214  0.9868  1.0
  Sc  Sc4  2  0.3379  0.9396  0.6565  1.0
  Sc  Sc5  2  0.3951  0.4021  0.3993  1.0
  Sc  Sc6  2  0.4841  0.1690  0.8394  1.0
  Sc  Sc7  1  0.0000  0.0000  0.0000  1.0
]