data_[Ba4Na4Cr4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.0732]
_cell_length_b [12.9797]
_cell_length_c [6.5739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaNaCrS3]
_chemical_formula_sum '[Ba4 Na4 Cr4 S12]'
_cell_volume [603.5377]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  4  0.0000  0.2078  0.7500  1
  Na  Na1  4  0.0000  0.4397  0.2500  1
  Cr  Cr2  4  0.0000  0.0556  0.2500  1
  S  S3  8  0.2141  0.0000  0.0000  1
  S  S4  4  0.0000  0.2341  0.2500  1
]