data_[Pr12In4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.9191]
_cell_length_b [13.6537]
_cell_length_c [7.8293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr3InTe2]
_chemical_formula_sum '[Pr12 In4 Te8]'
_cell_volume [796.7390]
_cell_formula_units_Z [4]
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  8  0.2468  0.4173  0.9979  1.0
  Pr  Pr1  4  0.2500  0.2500  0.5000  1.0
  In  In2  4  0.0000  0.4144  0.2500  1.0
  Te  Te3  4  0.0000  0.0829  0.2500  1.0
  Te  Te4  4  0.0000  0.2474  0.7500  1.0
]