data_[Pm4Tl4S4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.7173]
_cell_length_b [5.6282]
_cell_length_c [12.3552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [PmTlSO]
_chemical_formula_sum '[Pm4 Tl4 S4 O4]'
_cell_volume [387.8795]
_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
[
  Pm  Pm0  2  0.0419  0.7985  0.0965  1
  Pm  Pm1  2  0.4576  0.7975  0.9032  1
  Tl  Tl2  2  0.0491  0.7263  0.6047  1
  Tl  Tl3  2  0.4358  0.7059  0.3913  1
  S  S4  2  0.2109  0.1451  0.7365  1
  S  S5  2  0.2939  0.1397  0.2649  1
  O  O6  2  0.2499  0.0425  -0.0000  1
  O  O7  2  0.2501  0.5444  0.0003  1
]