data_[Pm1Tm1Tl2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3060]
_cell_length_b [4.2156]
_cell_length_c [8.1405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PmTm(TlSe2)2]
_chemical_formula_sum '[Pm1 Tm1 Tl2 Se4]'
_cell_volume [239.2872]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1
  Tm  Tm1  1  0.0000  0.0000  0.0000  1
  Tl  Tl2  1  0.0000  0.5000  0.5000  1
  Tl  Tl3  1  0.5000  0.0000  0.5000  1
  Se  Se4  2  0.2259  0.5000  0.2033  1
  Se  Se5  2  0.2556  0.0000  0.7926  1
]