data_[Rb4Ni4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5436]
_cell_length_b [3.9513]
_cell_length_c [6.3855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbNiS]
_chemical_formula_sum '[Rb4 Ni4 S4]'
_cell_volume [302.0194]
_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  0.0954  0.5000  0.8073  1.0
  Ni  Ni1  4  0.2082  0.5000  0.3926  1.0
  S  S2  4  0.1419  0.0000  0.2968  1.0
]