data_[Cu6As4]
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 [P-1]
_cell_length_a [4.8475]
_cell_length_b [6.8090]
_cell_length_c [18.0315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0506]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cu3As2]
_chemical_formula_sum '[Cu6 As4]'
_cell_volume [595.1599]
_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  2  0.0356  0.7376  0.4677  1
  Cu  Cu1  2  0.2932  0.4140  0.4337  1
  Cu  Cu2  2  0.4655  0.2572  0.5593  1
  As  As3  2  0.2100  0.5496  0.5841  1
  As  As4  2  0.2861  0.0444  0.4565  1
]