data_[Pr4Mg4Te4Au4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  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 [Cmcm]
_cell_length_a [3.9072]
_cell_length_b [13.9455]
_cell_length_c [11.1336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PrMgTeAuS2]
_chemical_formula_sum '[Pr4 Mg4 Te4 Au4 S8]'
_cell_volume [606.6518]
_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  0.0000  0.5000  0.0000  1
  Mg  Mg1  4  0.0000  0.3152  0.7500  1
  Te  Te2  4  0.0000  0.3665  0.2500  1
  Au  Au3  4  0.0000  0.0089  0.2500  1
  S  S4  8  0.0000  0.1358  0.0870  1
]