data_[Th4As4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3448]
_cell_length_b [3.8166]
_cell_length_c [5.4502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2350]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ThAsO]
_chemical_formula_sum '[Th4 As4 O4]'
_cell_volume [379.9993]
_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  0.1501  0.0000  0.3054  1
  As  As1  4  0.2214  0.0000  0.8233  1
  O  O2  4  0.0942  0.5000  0.2812  1
]