data_[Y4Th2Sc14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.0571]
_cell_length_b [27.1977]
_cell_length_c [3.3221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Y2ThSc7]
_chemical_formula_sum '[Y4 Th2 Sc14]'
_cell_volume [547.2854]
_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  4  0.0000  0.2896  0.5000  1
  Th  Th1  2  0.0000  0.0000  0.0000  1
  Sc  Sc2  8  0.2466  0.9017  0.5000  1
  Sc  Sc3  4  0.0000  0.1819  0.0000  1
  Sc  Sc4  2  0.0000  0.5000  0.5000  1
]