data_[Pr4Tl1Si1Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7287]
_cell_length_b [4.4192]
_cell_length_c [7.9347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4TlSiTe2]
_chemical_formula_sum '[Pr4 Tl1 Si1 Te2]'
_cell_volume [257.0529]
_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
[
  Pr  Pr0  2  0.2305  0.5000  0.2299  1.0
  Pr  Pr1  2  0.2395  0.0000  0.7553  1.0
  Tl  Tl2  1  0.5000  0.5000  0.0000  1.0
  Si  Si3  1  0.0000  0.0000  0.0000  1.0
  Te  Te4  1  0.0000  0.5000  0.5000  1.0
  Te  Te5  1  0.5000  0.0000  0.5000  1.0
]