data_[Rb6Zr9Cu3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Zr  1.3300  1.5500  0.8600
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.4592]
_cell_length_b [7.4592]
_cell_length_c [24.9307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Rb2Zr3CuS8]
_chemical_formula_sum '[Rb6 Zr9 Cu3 S24]'
_cell_volume [1201.2831]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1425  1.0
  Rb  Rb1  3  0.0000  0.0000  0.4895  1.0
  Zr  Zr2  9  0.0036  0.5018  0.9962  1.0
  Cu  Cu3  3  0.0000  0.0000  0.9382  1.0
  S  S4  9  0.0140  0.5070  0.2649  1.0
  S  S5  9  0.1712  0.3424  0.0501  1.0
  S  S6  3  0.0000  0.0000  0.2695  1.0
  S  S7  3  0.0000  0.0000  0.7197  1.0
]