data_[Cu3Sb3As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.1874]
_cell_length_b [8.1433]
_cell_length_c [19.7272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cu3Sb3As4]
_chemical_formula_sum '[Cu3 Sb3 As4]'
_cell_volume [672.6774]
_cell_formula_units_Z [1]
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  0.6998  0.1737  0.4656  1
  Cu  Cu1  1  0.1803  0.0000  0.4367  1
  Sb  Sb2  2  0.5153  0.2499  0.5945  1
  Sb  Sb3  1  0.6537  0.0000  0.3549  1
  As  As4  2  0.2121  0.3334  0.4704  1
  As  As5  1  0.9543  0.0000  0.5607  1
  As  As6  1  0.9650  0.5000  0.5866  1
]