data_[Pr4Mn4Tl4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0768]
_cell_length_b [4.1918]
_cell_length_c [8.8522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrMnTlS3]
_chemical_formula_sum '[Pr4 Mn4 Tl4 S12]'
_cell_volume [607.5988]
_cell_formula_units_Z [4]
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  0.1738  0.0000  0.1109  1
  Mn  Mn1  4  0.0006  0.5000  0.7859  1
  Tl  Tl2  4  0.1351  0.0000  0.5718  1
  S  S3  4  0.1488  0.5000  0.3006  1
  S  S4  4  0.1558  0.5000  0.8788  1
  S  S5  2  0.0000  0.0000  0.0000  1
  S  S6  2  0.0000  0.5000  0.5000  1
]