data_[Sr4Pa2V2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pa  1.5000  1.8000  1.0400
  V  1.6300  1.3500  0.7775
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7928]
_cell_length_b [7.1098]
_cell_length_c [11.8402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr2PaVS6]
_chemical_formula_sum '[Sr4 Pa2 V2 S12]'
_cell_volume [473.0370]
_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
[
  Sr  Sr0  4  0.2253  0.5711  0.7470  1
  Pa  Pa1  2  0.5000  0.0000  0.0000  1
  V  V2  2  0.0000  0.0000  0.5000  1
  S  S3  4  0.1444  0.7113  0.4551  1
  S  S4  4  0.2475  0.1926  0.4560  1
  S  S5  4  0.3248  0.5156  0.2392  1
]