data_[Rb2Mg2Ni2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mg  1.3100  1.5000  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 [7.7368]
_cell_length_b [3.5758]
_cell_length_c [10.4255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1549]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbMgNiS3]
_chemical_formula_sum '[Rb2 Mg2 Ni2 S6]'
_cell_volume [274.0643]
_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  0.4971  0.7500  0.7875  1
  Mg  Mg1  2  0.0023  0.7500  0.1251  1
  Ni  Ni2  2  0.0569  0.2500  0.3899  1
  S  S3  2  0.1288  0.2500  0.6218  1
  S  S4  2  0.2048  0.7500  0.9771  1
  S  S5  2  0.2257  0.7500  0.3589  1
]