data_[Pr4Sn8Rh1]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.5066]
_cell_length_b [4.5872]
_cell_length_c [17.2574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pr4Sn8Rh]
_chemical_formula_sum '[Pr4 Sn8 Rh1]'
_cell_volume [356.7558]
_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  1  0.0000  0.0000  0.0958  1
  Pr  Pr1  1  0.0000  0.5000  0.6063  1
  Pr  Pr2  1  0.5000  0.0000  0.8989  1
  Pr  Pr3  1  0.5000  0.5000  0.3952  1
  Sn  Sn4  1  0.0000  0.0000  0.4602  1
  Sn  Sn5  1  0.0000  0.0000  0.7516  1
  Sn  Sn6  1  0.0000  0.5000  0.2344  1
  Sn  Sn7  1  0.0000  0.5000  0.9351  1
  Sn  Sn8  1  0.5000  0.0000  0.2328  1
  Sn  Sn9  1  0.5000  0.0000  0.5730  1
  Sn  Sn10  1  0.5000  0.5000  0.0551  1
  Sn  Sn11  1  0.5000  0.5000  0.7544  1
  Rh  Rh12  1  0.0000  0.0000  0.3103  1
]