data_[Rb4Hf4Co4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hf  1.3000  1.5500  0.8500
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6824]
_cell_length_b [15.0458]
_cell_length_c [9.6734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbHfCoS3]
_chemical_formula_sum '[Rb4 Hf4 Co4 S12]'
_cell_volume [535.9492]
_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  0.0000  0.2567  0.2500  1.0
  Hf  Hf1  4  0.0000  0.0000  0.0000  1.0
  Co  Co2  4  0.0000  0.4705  0.7500  1.0
  S  S3  8  0.0000  0.3869  0.5568  1.0
  S  S4  4  0.0000  0.0599  0.7500  1.0
]