data_[Y12Er2Tm4Sc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [C2/m]
_cell_length_a [6.0418]
_cell_length_b [10.4575]
_cell_length_c [11.4716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6ErTm2Sc3]
_chemical_formula_sum '[Y12 Er2 Tm4 Sc6]'
_cell_volume [713.5684]
_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
[
  Y  Y0  8  0.2475  0.3333  0.7423  1
  Y  Y1  4  0.2476  0.0000  0.7421  1
  Er  Er2  2  0.0000  0.0000  0.0000  1
  Tm  Tm3  4  0.0000  0.3334  0.0000  1
  Sc  Sc4  4  0.0000  0.1669  0.5000  1
  Sc  Sc5  2  0.0000  0.5000  0.5000  1
]