data_[Na6Cr4Bi2S12]
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
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4986]
_cell_length_b [11.2779]
_cell_length_c [6.9940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5389]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Cr2BiS6]
_chemical_formula_sum '[Na6 Cr4 Bi2 S12]'
_cell_volume [485.9901]
_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  0.1590  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Cr  Cr2  4  0.0000  0.3325  0.0000  1.0
  Bi  Bi3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2441  0.3148  0.7921  1.0
  S  S5  4  0.2012  0.5000  0.2090  1.0
]