data_[Y2Tm6Th2Sc2]
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 [P2_1/m]
_cell_length_a [10.4141]
_cell_length_b [3.5047]
_cell_length_c [10.4305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YTm3ThSc]
_chemical_formula_sum '[Y2 Tm6 Th2 Sc2]'
_cell_volume [359.1163]
_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  2  0.1199  0.7500  0.2950  1
  Tm  Tm1  2  0.1266  0.7500  0.9573  1
  Tm  Tm2  2  0.3717  0.2500  0.5429  1
  Tm  Tm3  2  0.3771  0.2500  0.2077  1
  Th  Th4  2  0.3716  0.2500  0.8726  1
  Sc  Sc5  2  0.1257  0.7500  0.6221  1
]