data_[U2Nb4As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Nb  1.6000  1.4500  0.8200
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.5487]
_cell_length_b [9.9041]
_cell_length_c [6.9231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [UNb2As3]
_chemical_formula_sum '[U2 Nb4 As6]'
_cell_volume [243.3278]
_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
[
  U  U0  2  0.0000  0.1390  0.9951  1
  Nb  Nb1  2  0.0000  0.2275  0.5022  1
  Nb  Nb2  2  0.5000  0.4803  0.5141  1
  As  As3  2  0.0000  0.3980  0.7788  1
  As  As4  2  0.5000  0.0618  0.6712  1
  As  As5  2  0.5000  0.2939  0.2399  1
]