data_[Ba6U2As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [8.0164]
_cell_length_b [9.1559]
_cell_length_c [7.7664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Ba3UAs4]
_chemical_formula_sum '[Ba6 U2 As8]'
_cell_volume [536.5875]
_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
[
  Ba  Ba0  2  0.0000  0.3782  0.7500  1
  Ba  Ba1  2  0.5000  0.1174  0.7500  1
  Ba  Ba2  2  0.5000  0.3780  0.2500  1
  U  U3  2  0.0000  0.1205  0.2500  1
  As  As4  4  0.1930  0.0991  0.0029  1
  As  As5  4  0.2235  0.3333  0.4603  1
]