data_[Pr6Tm2Te12]
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/c]
_cell_length_a [7.4752]
_cell_length_b [8.3335]
_cell_length_c [13.3871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr3TmTe6]
_chemical_formula_sum '[Pr6 Tm2 Te12]'
_cell_volume [704.3957]
_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  4  0.1929  0.6189  0.2443  1.0
  Pr  Pr1  2  0.5000  0.0000  0.5000  1.0
  Tm  Tm2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.0795  0.6813  0.9241  1.0
  Te  Te4  4  0.2534  0.1717  0.9207  1.0
  Te  Te5  4  0.4038  0.5508  0.7414  1.0
]