data_[Pa4Ge2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7244]
_cell_length_b [3.7567]
_cell_length_c [18.9072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa2GeS6]
_chemical_formula_sum '[Pa4 Ge2 S12]'
_cell_volume [1329.9732]
_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
[
  Pa  Pa0  4  0.1495  0.0000  0.5270  1
  Ge  Ge1  2  0.0000  0.5000  0.5000  1
  S  S2  4  0.0748  0.5000  0.6033  1
  S  S3  4  0.1095  0.5000  0.4309  1
  S  S4  4  0.2425  0.5000  0.5742  1
]