data_[Tb8Er2Sc14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3357]
_cell_length_b [5.5339]
_cell_length_c [11.9833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb4ErSc7]
_chemical_formula_sum '[Tb8 Er2 Sc14]'
_cell_volume [683.1020]
_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
[
  Tb  Tb0  4  0.0964  0.5000  0.2947  1
  Tb  Tb1  4  0.1284  0.0000  0.7743  1
  Er  Er2  2  0.0000  0.0000  0.0000  1
  Sc  Sc3  4  0.1302  0.0000  0.4846  1
  Sc  Sc4  4  0.1508  0.5000  0.6185  1
  Sc  Sc5  4  0.2074  0.5000  0.9150  1
  Sc  Sc6  2  0.0000  0.5000  0.0000  1
]