data_[Rb6Mg4Pa2S12]
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
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8403]
_cell_length_b [11.8587]
_cell_length_c [7.9948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5001]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Mg2PaS6]
_chemical_formula_sum '[Rb6 Mg4 Pa2 S12]'
_cell_volume [621.8030]
_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  0.1699  0.5000  1
  Rb  Rb1  2  0.0000  0.5000  0.5000  1
  Mg  Mg2  4  0.0000  0.3336  0.0000  1
  Pa  Pa3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2275  0.1652  0.1859  1
  S  S5  4  0.2322  0.5000  0.1873  1
]