data_[Rb4Zr4Ru4S12]
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
  Ru  2.2000  1.3000  0.6610
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6545]
_cell_length_b [15.6553]
_cell_length_c [9.6708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbZrRuS3]
_chemical_formula_sum '[Rb4 Zr4 Ru4 S12]'
_cell_volume [553.2903]
_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  0.2521  0.2500  1.0
  Zr  Zr1  4  0.0000  0.0000  0.0000  1.0
  Ru  Ru2  4  0.0000  0.4784  0.7500  1.0
  S  S3  8  0.0000  0.3847  0.5601  1.0
  S  S4  4  0.0000  0.0706  0.7500  1.0
]