data_[Rb2Hf2Cu2S6]
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
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7367]
_cell_length_b [3.7595]
_cell_length_c [9.3600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbHfCuS3]
_chemical_formula_sum '[Rb2 Hf2 Cu2 S6]'
_cell_volume [282.1759]
_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
[
  Rb  Rb0  2  0.2245  0.2500  0.2565  1.0
  Hf  Hf1  2  0.3155  0.7500  0.8370  1.0
  Cu  Cu2  2  0.0839  0.2500  0.6018  1.0
  S  S3  2  0.1290  0.2500  0.8614  1.0
  S  S4  2  0.2146  0.7500  0.5495  1.0
  S  S5  2  0.4729  0.7500  0.1431  1.0
]