data_[Rb4Cr4Ni4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [14.9553]
_cell_length_b [3.5508]
_cell_length_c [9.2868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [RbCrNiS3]
_chemical_formula_sum '[Rb4 Cr4 Ni4 S12]'
_cell_volume [493.1609]
_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
[
  Rb  Rb0  4  0.2416  0.2500  0.0434  1
  Cr  Cr1  4  0.0138  0.2500  0.3282  1
  Ni  Ni2  4  0.0099  0.7500  0.0985  1
  S  S3  4  0.0739  0.2500  0.5689  1
  S  S4  4  0.0791  0.7500  0.8747  1
  S  S5  4  0.1145  0.7500  0.2647  1
]