data_[Pr4Ga4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [6.3677]
_cell_length_b [6.3409]
_cell_length_c [8.4499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [PrGaSn]
_chemical_formula_sum '[Pr4 Ga4 Sn4]'
_cell_volume [316.3133]
_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  0.3875  0.3879  0.5011  1.0
  Ga  Ga1  4  0.2428  0.0602  0.8348  1.0
  Sn  Sn2  4  0.4964  0.1032  0.1675  1.0
]