data_[Pr2Ga3Ni1]
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 [Pmm2]
_cell_length_a [3.9028]
_cell_length_b [4.3623]
_cell_length_c [7.6638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pr2Ga3Ni]
_chemical_formula_sum '[Pr2 Ga3 Ni1]'
_cell_volume [130.4762]
_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  1  0.0000  0.0000  0.4885  1.0
  Pr  Pr1  1  0.0000  0.5000  0.0134  1.0
  Ga  Ga2  1  0.5000  0.0000  0.1738  1.0
  Ga  Ga3  1  0.5000  0.0000  0.8356  1.0
  Ga  Ga4  1  0.5000  0.5000  0.6564  1.0
  Ni  Ni5  1  0.5000  0.5000  0.3324  1.0
]