data_[Pr1Y1Ga6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.3962]
_cell_length_b [6.3962]
_cell_length_c [4.6279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [PrYGa6]
_chemical_formula_sum '[Pr1 Y1 Ga6]'
_cell_volume [163.9659]
_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  0.3333  0.6667  0.5000  1.0
  Y  Y1  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  3  0.3730  0.1865  0.5000  1.0
  Ga  Ga3  3  0.5232  0.4768  0.0000  1.0
]