data_[Cu6Si2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.4946]
_cell_length_b [7.0477]
_cell_length_c [18.8201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cu3SiAs3]
_chemical_formula_sum '[Cu6 Si2 As6]'
_cell_volume [728.7933]
_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
[
  Cu  Cu0  4  0.0701  0.2636  0.4476  1
  Si  Si1  2  0.3095  0.0000  0.5161  1
  Cu  Cu2  2  0.3553  0.5000  0.5238  1
  As  As3  4  0.0520  0.2694  0.5893  1
  As  As4  2  0.2995  0.0000  0.3863  1
]