data_[Na2Cu2As2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3232]
_cell_length_b [3.7196]
_cell_length_c [8.7489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaCuAsS3]
_chemical_formula_sum '[Na2 Cu2 As2 S6]'
_cell_volume [267.3339]
_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
[
  Na  Na0  2  0.1644  0.2500  0.2090  1.0
  Cu  Cu1  2  0.0944  0.2500  0.5908  1.0
  As  As2  2  0.3478  0.7500  0.8718  1.0
  S  S3  2  0.1427  0.2500  0.8618  1.0
  S  S4  2  0.1834  0.7500  0.4819  1.0
  S  S5  2  0.4097  0.7500  0.1330  1.0
]