data_[Pr8Y8Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9908]
_cell_length_b [4.0610]
_cell_length_c [11.2934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrYTe]
_chemical_formula_sum '[Pr8 Y8 Te8]'
_cell_volume [778.2748]
_cell_formula_units_Z [8]
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  0.0269  0.0000  0.3515  1
  Pr  Pr1  4  0.1138  0.5000  0.8430  1
  Y  Y2  4  0.1932  0.0000  0.0845  1
  Y  Y3  4  0.2497  0.0000  0.6571  1
  Te  Te4  4  0.0745  0.5000  0.1536  1
  Te  Te5  4  0.1184  0.5000  0.5447  1
]