data_[Pr12Si2Te4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  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 [19.1125]
_cell_length_b [4.3492]
_cell_length_c [8.7677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6SiTe2Se3]
_chemical_formula_sum '[Pr12 Si2 Te4 Se6]'
_cell_volume [711.2124]
_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  0.0036  0.0000  0.7673  1.0
  Pr  Pr1  4  0.1562  0.5000  0.6012  1.0
  Pr  Pr2  4  0.1573  0.5000  0.0664  1.0
  Si  Si3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.1696  0.0000  0.3410  1.0
  Se  Se5  4  0.1702  0.0000  0.8386  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]