data_[Pr2Ga6Ni2]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.2690]
_cell_length_b [4.2690]
_cell_length_c [10.2402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [PrGa3Ni]
_chemical_formula_sum '[Pr2 Ga6 Ni2]'
_cell_volume [186.6192]
_cell_formula_units_Z [2]
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  0.0000  0.9858  1
  Ga  Ga1  4  0.0000  0.5000  0.2315  1
  Ga  Ga2  2  0.0000  0.0000  0.3952  1
  Ni  Ni3  2  0.0000  0.0000  0.6250  1
]