data_[Na6Cr4Cu2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2318]
_cell_length_b [10.8036]
_cell_length_c [6.7444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Cr2CuS6]
_chemical_formula_sum '[Na6 Cr4 Cu2 S12]'
_cell_volume [432.0077]
_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  4  0.0000  0.1637  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Cr  Cr2  4  0.0000  0.3330  0.0000  1.0
  Cu  Cu3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2351  0.1696  0.1963  1.0
  S  S5  4  0.2268  0.5000  0.1951  1.0
]