data_[Rb2Zr2Ni2S6]
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
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8564]
_cell_length_b [3.7462]
_cell_length_c [9.3644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1863]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbZrNiS3]
_chemical_formula_sum '[Rb2 Zr2 Ni2 S6]'
_cell_volume [283.4189]
_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  0.2226  0.2500  0.2483  1.0
  Zr  Zr1  2  0.3105  0.7500  0.8382  1.0
  Ni  Ni2  2  0.0884  0.2500  0.5956  1.0
  S  S3  2  0.1223  0.2500  0.8564  1.0
  S  S4  2  0.1921  0.7500  0.5362  1.0
  S  S5  2  0.4753  0.7500  0.1508  1.0
]