data_[Na2Cr2Cu2S4]
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 [P2/c]
_cell_length_a [6.7476]
_cell_length_b [4.9178]
_cell_length_c [5.4286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3255]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [NaCrCuS2]
_chemical_formula_sum '[Na2 Cr2 Cu2 S4]'
_cell_volume [173.7340]
_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  0.5000  0.2226  0.7500  1
  Cr  Cr1  2  0.0000  0.4993  0.2500  1
  Cu  Cu2  2  0.0000  0.0000  0.0000  1
  S  S3  4  0.2382  0.3036  0.0785  1
]