data_[Th4V4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  V  1.6300  1.3500  0.7775
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5905]
_cell_length_b [7.2764]
_cell_length_c [6.9400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4727]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ThVBrO4]
_chemical_formula_sum '[Th4 V4 Br4 O16]'
_cell_volume [515.4205]
_cell_formula_units_Z [4]
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  4  0.2416  0.0000  0.1330  1
  V  V1  4  0.1364  0.5000  0.2685  1
  Br  Br2  4  0.0161  0.0000  0.7558  1
  O  O3  8  0.1920  0.3166  0.1426  1
  O  O4  4  0.0310  0.5000  0.7790  1
  O  O5  4  0.2082  0.5000  0.5216  1
]