data_[Rb32Ta16Cu16S32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ta  1.5000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.6303]
_cell_length_b [12.1860]
_cell_length_c [48.5795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Rb2TaCuS2]
_chemical_formula_sum '[Rb32 Ta16 Cu16 S32]'
_cell_volume [3333.0897]
_cell_formula_units_Z [16]
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  32  0.0505  0.1350  0.6953  1
  Ta  Ta1  16  0.1250  0.1250  0.1250  1
  Cu  Cu2  16  0.1250  0.1250  0.6250  1
  S  S3  32  0.0546  0.1318  0.1719  1
]