data_[Zr8U4As16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  U  1.3800  1.7500  0.9913
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8721]
_cell_length_b [12.5716]
_cell_length_c [12.9607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Zr2UAs4]
_chemical_formula_sum '[Zr8 U4 As16]'
_cell_volume [630.9093]
_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
[
  Zr  Zr0  8  0.0000  0.1351  0.0590  1
  U  U1  4  0.0000  0.3898  0.2500  1
  As  As2  8  0.0000  0.2298  0.6316  1
  As  As3  4  0.0000  0.0546  0.2500  1
  As  As4  4  0.0000  0.5000  0.0000  1
]