data_[Tb4Sm6Er12Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  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 [6.1115]
_cell_length_b [10.5798]
_cell_length_c [11.6684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Sm3Er6Sc]
_chemical_formula_sum '[Tb4 Sm6 Er12 Sc2]'
_cell_volume [742.9184]
_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  0.0000  0.3336  0.0000  1
  Sm  Sm1  4  0.0000  0.1665  0.5000  1
  Sm  Sm2  2  0.0000  0.5000  0.5000  1
  Er  Er3  8  0.2467  0.1654  0.2457  1
  Er  Er4  4  0.2495  0.0000  0.7540  1
  Sc  Sc5  2  0.0000  0.0000  0.0000  1
]