data_[U4Ag4As4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2054]
_cell_length_b [4.1123]
_cell_length_c [6.8359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.9396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [UAgAs]
_chemical_formula_sum '[U4 Ag4 As4]'
_cell_volume [253.4486]
_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
[
  U  U0  4  0.0424  0.5000  0.8613  1
  Ag  Ag1  4  0.1466  0.0000  0.5610  1
  As  As2  4  0.1883  0.0000  0.1945  1
]