data_[Pr2Ga3Si1Ni4]
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
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1644]
_cell_length_b [4.1644]
_cell_length_c [9.8095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Pr2Ga3SiNi4]
_chemical_formula_sum '[Pr2 Ga3 Si1 Ni4]'
_cell_volume [170.1202]
_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  0.0000  0.5000  0.7475  1
  Ga  Ga1  2  0.0000  0.5000  0.1274  1
  Ga  Ga2  1  0.0000  0.0000  0.5000  1
  Si  Si3  1  0.5000  0.5000  0.5000  1
  Ni  Ni4  2  0.0000  0.5000  0.3783  1
  Ni  Ni5  1  0.0000  0.0000  0.0000  1
  Ni  Ni6  1  0.5000  0.5000  0.0000  1
]