data_[Pr4Ga4Ni6]
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 [C2/m]
_cell_length_a [10.8794]
_cell_length_b [3.8785]
_cell_length_c [6.7873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Ga2Ni3]
_chemical_formula_sum '[Pr4 Ga4 Ni6]'
_cell_volume [260.0803]
_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  4  0.1298  0.0000  0.7663  1
  Ga  Ga1  4  0.1541  0.0000  0.2539  1
  Ni  Ni2  4  0.1042  0.5000  0.4266  1
  Ni  Ni3  2  0.0000  0.5000  0.0000  1
]