data_[Rb4Zr4Rh4S12]
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
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6622]
_cell_length_b [15.5878]
_cell_length_c [9.7266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbZrRhS3]
_chemical_formula_sum '[Rb4 Zr4 Rh4 S12]'
_cell_volume [555.2471]
_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  0.2509  0.2500  1.0
  Zr  Zr1  4  0.0000  0.0000  0.0000  1.0
  Rh  Rh2  4  0.0000  0.4770  0.7500  1.0
  S  S3  8  0.0000  0.3837  0.5563  1.0
  S  S4  4  0.0000  0.0699  0.7500  1.0
]