data_[Pr4Te12Au8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.6852]
_cell_length_b [4.3381]
_cell_length_c [7.8564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9423]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrTe3Au2]
_chemical_formula_sum '[Pr4 Te12 Au8]'
_cell_volume [763.7638]
_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  4  0.1498  0.5000  0.0294  1
  Te  Te1  4  0.0730  0.0000  0.8044  1
  Te  Te2  4  0.0835  0.5000  0.3639  1
  Te  Te3  4  0.2477  0.0000  0.2199  1
  Au  Au4  4  0.0524  0.0000  0.1465  1
  Au  Au5  4  0.2045  0.5000  0.4327  1
]