data_[Pr1Ga2Cu1Ni5]
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
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5118]
_cell_length_b [4.5118]
_cell_length_c [6.8585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [PrGa2CuNi5]
_chemical_formula_sum '[Pr1 Ga2 Cu1 Ni5]'
_cell_volume [139.6159]
_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  0.5000  1
  Ga  Ga1  2  0.5000  0.5000  0.1733  1
  Cu  Cu2  1  0.0000  0.0000  0.0000  1
  Ni  Ni3  4  0.0000  0.5000  0.1952  1
  Ni  Ni4  1  0.5000  0.5000  0.5000  1
]