data_[Th4Cr2B20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Cr  1.6600  1.4000  0.9400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.6989]
_cell_length_b [11.3697]
_cell_length_c [4.1863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Th2CrB10]
_chemical_formula_sum '[Th4 Cr2 B20]'
_cell_volume [271.2490]
_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  4  0.2206  0.3691  0.5000  1
  Cr  Cr1  2  0.0000  0.0000  0.0000  1
  B  B2  8  0.2161  0.1158  0.2981  1
  B  B3  4  0.0508  0.1893  0.0000  1
  B  B4  4  0.1253  0.5397  0.0000  1
  B  B5  4  0.1374  0.6970  0.0000  1
]