data_[Pr2Tm6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.4392]
_cell_length_b [4.3706]
_cell_length_c [12.7702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3448]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr(TmTe2)3]
_chemical_formula_sum '[Pr2 Tm6 Te12]'
_cell_volume [655.0778]
_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
[
  Pr  Pr0  2  0.0482  0.7500  0.6987  1.0
  Tm  Tm1  2  0.1561  0.7500  0.0837  1.0
  Tm  Tm2  2  0.3178  0.2500  0.4989  1.0
  Tm  Tm3  2  0.4373  0.7500  0.8353  1.0
  Te  Te4  2  0.0847  0.2500  0.9059  1.0
  Te  Te5  2  0.1176  0.7500  0.4682  1.0
  Te  Te6  2  0.1974  0.2500  0.2502  1.0
  Te  Te7  2  0.2612  0.2500  0.7240  1.0
  Te  Te8  2  0.3909  0.7500  0.0589  1.0
  Te  Te9  2  0.4820  0.7500  0.6163  1.0
]