data_[Pm2Mn2Tl2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  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 [P2_1/m]
_cell_length_a [8.8804]
_cell_length_b [4.1460]
_cell_length_c [9.4685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PmMnTlS3]
_chemical_formula_sum '[Pm2 Mn2 Tl2 S6]'
_cell_volume [337.8320]
_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
[
  Pm  Pm0  2  0.3371  0.2500  0.8521  1
  Mn  Mn1  2  0.0806  0.7500  0.6120  1
  Tl  Tl2  2  0.1972  0.7500  0.2117  1
  S  S3  2  0.1217  0.7500  0.8658  1
  S  S4  2  0.1893  0.2500  0.5382  1
  S  S5  2  0.4499  0.2500  0.1545  1
]