data_[Pr12Ga12Ni4]
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 [11.2447]
_cell_length_b [4.3845]
_cell_length_c [14.4857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3Ga3Ni]
_chemical_formula_sum '[Pr12 Ga12 Ni4]'
_cell_volume [673.0502]
_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  0.0275  0.5000  0.3867  1
  Pr  Pr1  4  0.1060  0.5000  0.9176  1
  Pr  Pr2  4  0.2439  0.5000  0.2343  1
  Ga  Ga3  4  0.0466  0.0000  0.2403  1
  Ga  Ga4  4  0.1044  0.0000  0.0745  1
  Ga  Ga5  4  0.1629  0.0000  0.5409  1
  Ni  Ni6  4  0.2441  0.0000  0.3970  1
]