data_[Pr12Ga4Te2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0436]
_cell_length_b [4.2240]
_cell_length_c [8.9616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0712]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Ga2TeSe3]
_chemical_formula_sum '[Pr12 Ga4 Te2 Se6]'
_cell_volume [699.2384]
_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  0.0044  0.0000  0.2663  1.0
  Pr  Pr1  4  0.1665  0.5000  0.5887  1.0
  Pr  Pr2  4  0.1709  0.5000  0.0896  1.0
  Ga  Ga3  4  0.1685  0.0000  0.3379  1.0
  Te  Te4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1633  0.0000  0.8359  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]