data_[Na6Zr2Cr4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2180]
_cell_length_b [10.7731]
_cell_length_c [6.9928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3119]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Zr(CrS3)2]
_chemical_formula_sum '[Na6 Zr2 Cr4 S12]'
_cell_volume [447.2104]
_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  0.1627  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Zr  Zr2  2  0.0000  0.0000  0.0000  1
  Cr  Cr3  4  0.0000  0.3329  0.0000  1
  S  S4  8  0.2458  0.1761  0.2083  1
  S  S5  4  0.2173  0.5000  0.2082  1
]