data_[Pr4Ni4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9850]
_cell_length_b [4.3916]
_cell_length_c [5.4030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrNiSn]
_chemical_formula_sum '[Pr4 Ni4 Sn4]'
_cell_volume [281.8113]
_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  0.1220  0.5000  0.3118  1.0
  Ni  Ni1  4  0.2181  0.5000  0.8575  1.0
  Sn  Sn2  4  0.1001  0.0000  0.8051  1.0
]