data_[Rb4Mg4Ta2S12]
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
  Ta  1.5000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4216]
_cell_length_b [11.0189]
_cell_length_c [8.2172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Mg2TaS6]
_chemical_formula_sum '[Rb4 Mg4 Ta2 S12]'
_cell_volume [559.6892]
_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  4  0.0000  0.1703  0.0000  1
  Mg  Mg1  4  0.0000  0.3335  0.5000  1
  Ta  Ta2  2  0.0000  0.0000  0.5000  1
  S  S3  8  0.2217  0.1573  0.6806  1
  S  S4  4  0.2455  0.5000  0.6795  1
]