data_[Y12Tm6Th4Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1058]
_cell_length_b [10.5734]
_cell_length_c [11.7295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6Tm3Th2Sc]
_chemical_formula_sum '[Y12 Tm6 Th4 Sc2]'
_cell_volume [745.7369]
_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  0.2486  0.1663  0.2477  1
  Y  Y1  4  0.2492  0.5000  0.2480  1
  Tm  Tm2  4  0.0000  0.1664  0.5000  1
  Tm  Tm3  2  0.0000  0.5000  0.5000  1
  Th  Th4  4  0.0000  0.3335  0.0000  1
  Sc  Sc5  2  0.0000  0.0000  0.0000  1
]