data_[Cu8As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.6568]
_cell_length_b [5.9640]
_cell_length_c [7.7306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [CuAs]
_chemical_formula_sum '[Cu8 As8]'
_cell_volume [260.8090]
_cell_formula_units_Z [8]
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
[
  Cu  Cu0  4  0.0497  0.1382  0.4764  1
  Cu  Cu1  4  0.1946  0.2507  0.0205  1
  As  As2  4  0.0173  0.8906  0.7519  1
  As  As3  4  0.0777  0.4939  0.3133  1
]