data_[Er2Tm8Sc6]
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 [Pmna]
_cell_length_a [9.6349]
_cell_length_b [6.8045]
_cell_length_c [6.8032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [53]
_chemical_formula_structural [ErTm4Sc3]
_chemical_formula_sum '[Er2 Tm8 Sc6]'
_cell_volume [446.0280]
_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  0.5000  0.5000  1
  Tm  Tm1  4  0.2500  0.2459  0.7500  1
  Tm  Tm2  2  0.0000  0.0000  0.0000  1
  Tm  Tm3  2  0.0000  0.5000  0.0000  1
  Sc  Sc4  4  0.2500  0.2480  0.2500  1
  Sc  Sc5  2  0.0000  0.0000  0.5000  1
]