data_[Pr12Sn2As4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5584]
_cell_length_b [4.2626]
_cell_length_c [8.5180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6SnAs2S3]
_chemical_formula_sum '[Pr12 Sn2 As4 S6]'
_cell_volume [657.0696]
_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
[
  Pr  Pr0  4  0.0002  0.0000  0.7358  1
  Pr  Pr1  4  0.1674  0.5000  0.5834  1
  Pr  Pr2  4  0.1715  0.5000  0.0857  1
  Sn  Sn3  2  0.0000  0.5000  0.0000  1
  As  As4  4  0.1675  0.0000  0.3345  1
  S  S5  4  0.1664  0.0000  0.8316  1
  S  S6  2  0.0000  0.5000  0.5000  1
]