data_[Er2Tm6Sc8]
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 [10.6994]
_cell_length_b [6.8993]
_cell_length_c [5.9975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [ErTm3Sc4]
_chemical_formula_sum '[Er2 Tm6 Sc8]'
_cell_volume [442.7267]
_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  2  0.0000  0.3676  0.1441  1.0
  Tm  Tm1  4  0.2498  0.6324  0.9851  1.0
  Tm  Tm2  2  0.0000  0.6322  0.6436  1.0
  Sc  Sc3  4  0.2497  0.8814  0.4784  1.0
  Sc  Sc4  2  0.0000  0.1186  0.6506  1.0
  Sc  Sc5  2  0.0000  0.8812  0.1502  1.0
]