data_[U2Ag4As2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.1798]
_cell_length_b [9.4085]
_cell_length_c [5.5961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [UAg2AsSe4]
_chemical_formula_sum '[U2 Ag4 As2 Se8]'
_cell_volume [430.6765]
_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  0.8412  0.0810  1
  Ag  Ag1  4  0.1947  0.6615  0.5518  1
  As  As2  2  0.0000  0.2027  0.5252  1
  Se  Se3  4  0.2478  0.3666  0.5585  1
  Se  Se4  2  0.0000  0.1550  0.0933  1
  Se  Se5  2  0.0000  0.8904  0.5799  1
]