data_[Pr12Te6Au2S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4905]
_cell_length_b [12.9428]
_cell_length_c [7.6926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Te3AuS2]
_chemical_formula_sum '[Pr12 Te6 Au2 S4]'
_cell_volume [705.6033]
_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  0.2462  0.1724  0.2240  1
  Pr  Pr1  4  0.2283  0.5000  0.2198  1
  Te  Te2  4  0.0000  0.1632  0.5000  1
  Te  Te3  2  0.0000  0.5000  0.5000  1
  Au  Au4  2  0.0000  0.0000  0.0000  1
  S  S5  4  0.0000  0.3334  0.0000  1
]