data_[Pr3Sn7Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.9757]
_cell_length_b [4.5152]
_cell_length_c [14.7919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr3Sn7Au2]
_chemical_formula_sum '[Pr3 Sn7 Au2]'
_cell_volume [328.2977]
_cell_formula_units_Z [1]
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  2  0.1892  0.0000  0.3659  1.0
  Pr  Pr1  1  0.5000  0.5000  0.0000  1.0
  Sn  Sn2  2  0.1046  0.5000  0.1712  1.0
  Sn  Sn3  2  0.2714  0.5000  0.5450  1.0
  Sn  Sn4  2  0.4785  0.0000  0.8293  1.0
  Sn  Sn5  1  0.0000  0.0000  0.0000  1.0
  Au  Au6  2  0.3048  0.5000  0.7252  1.0
]