data_[Cu4Sn4As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2025]
_cell_length_b [3.9122]
_cell_length_c [6.9813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8185]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu2Sn2As3]
_chemical_formula_sum '[Cu4 Sn4 As6]'
_cell_volume [317.2914]
_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  0.1806  0.0000  0.9101  1
  Sn  Sn1  4  0.1347  0.5000  0.2778  1
  As  As2  4  0.1825  0.5000  0.7062  1
  As  As3  2  0.0000  0.0000  0.0000  1
]