data_[Rb2Zr2Ru2S6]
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 [P2_1/m]
_cell_length_a [8.8725]
_cell_length_b [3.7226]
_cell_length_c [9.5821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0290]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbZrRuS3]
_chemical_formula_sum '[Rb2 Zr2 Ru2 S6]'
_cell_volume [291.2618]
_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  0.2171  0.2500  0.2411  1.0
  Zr  Zr1  2  0.3163  0.7500  0.8411  1.0
  Ru  Ru2  2  0.0882  0.2500  0.6040  1.0
  S  S3  2  0.1275  0.2500  0.8653  1.0
  S  S4  2  0.2023  0.7500  0.5411  1.0
  S  S5  2  0.4663  0.7500  0.1416  1.0
]