data_[Pr2Y4Th6As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3362]
_cell_length_b [12.6866]
_cell_length_c [7.2807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrY2(ThAs2)3]
_chemical_formula_sum '[Pr2 Y4 Th6 As12]'
_cell_volume [638.2594]
_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
[
  Pr  Pr0  2  0.0000  0.0000  0.0000  1
  Y  Y1  4  0.0000  0.3328  0.0000  1
  Th  Th2  4  0.0000  0.1651  0.5000  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  As  As4  8  0.2476  0.3303  0.7522  1
  As  As5  4  0.2422  0.5000  0.2460  1
]