data_[Tb7Er4Sc1]
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 [P-1]
_cell_length_a [6.4111]
_cell_length_b [6.7378]
_cell_length_c [9.0144]
_cell_angle_alpha [86.2715]
_cell_angle_beta [76.0873]
_cell_angle_gamma [82.1521]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb7Er4Sc]
_chemical_formula_sum '[Tb7 Er4 Sc1]'
_cell_volume [374.2181]
_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
[
  Tb  Tb0  2  0.1915  0.1027  0.3819  1
  Tb  Tb1  2  0.3184  0.6986  0.6381  1
  Tb  Tb2  2  0.4979  0.2455  0.0485  1
  Tb  Tb3  1  0.0000  0.5000  0.0000  1
  Er  Er4  2  0.1644  0.6114  0.3123  1
  Er  Er5  2  0.3453  0.1899  0.7190  1
  Sc  Sc6  1  0.0000  0.0000  0.0000  1
]