data_[Pr12Te4Au2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5814]
_cell_length_b [13.1447]
_cell_length_c [7.5541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3577]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Te2AuSe3]
_chemical_formula_sum '[Pr12 Te4 Au2 Se6]'
_cell_volume [710.2483]
_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  8  0.2490  0.8373  0.2626  1.0
  Pr  Pr1  4  0.2348  0.0000  0.7325  1.0
  Te  Te2  4  0.0000  0.3352  0.0000  1.0
  Au  Au3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  4  0.0000  0.1720  0.5000  1.0
  Se  Se5  2  0.0000  0.5000  0.5000  1.0
]