data_[Th6U2As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  U  1.3800  1.7500  0.9913
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.3309]
_cell_length_b [8.4159]
_cell_length_c [7.2864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3827]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Th3UAs4]
_chemical_formula_sum '[Th6 U2 As8]'
_cell_volume [424.0692]
_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
[
  Th  Th0  2  0.0000  0.3733  0.7500  1
  Th  Th1  2  0.5000  0.1252  0.7500  1
  Th  Th2  2  0.5000  0.3751  0.2500  1
  U  U3  2  0.0000  0.1228  0.2500  1
  As  As4  4  0.2430  0.1211  0.0011  1
  As  As5  4  0.2456  0.3709  0.4951  1
]