data_[Pr6Er2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4802]
_cell_length_b [8.3414]
_cell_length_c [13.4168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3901]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr3ErTe6]
_chemical_formula_sum '[Pr6 Er2 Te12]'
_cell_volume [706.9020]
_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  0.1933  0.6188  0.2447  1.0
  Pr  Pr1  2  0.5000  0.0000  0.5000  1.0
  Er  Er2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.0794  0.6809  0.9235  1.0
  Te  Te4  4  0.2535  0.1723  0.9203  1.0
  Te  Te5  4  0.4048  0.5513  0.7420  1.0
]