data_[Tb4Ho4Er12Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.9179]
_cell_length_b [14.7344]
_cell_length_c [9.8428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TbHoEr3Sc]
_chemical_formula_sum '[Tb4 Ho4 Er12 Sc4]'
_cell_volume [713.2261]
_cell_formula_units_Z [4]
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  0.4981  0.7500  1.0
  Ho  Ho1  4  0.0000  0.0000  0.0000  1.0
  Er  Er2  8  0.0000  0.3323  0.5004  1.0
  Er  Er3  4  0.0000  0.1691  0.7500  1.0
  Sc  Sc4  4  0.0000  0.1676  0.2500  1.0
]