data_[Er8Tm6Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.9713]
_cell_length_b [7.0972]
_cell_length_c [6.1485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Er4Tm3Sc]
_chemical_formula_sum '[Er8 Tm6 Sc2]'
_cell_volume [478.7567]
_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
[
  Er  Er0  4  0.2468  0.8727  0.0167  1.0
  Er  Er1  2  0.0000  0.1272  0.8499  1.0
  Er  Er2  2  0.0000  0.8734  0.3547  1.0
  Tm  Tm3  4  0.2495  0.3773  0.0206  1.0
  Tm  Tm4  2  0.0000  0.3769  0.3527  1.0
  Sc  Sc5  2  0.0000  0.6236  0.8529  1.0
]