data_[Pr2Ga1Ni6B1]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.4377]
_cell_length_b [5.4377]
_cell_length_c [5.8426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Pr2GaNi6B]
_chemical_formula_sum '[Pr2 Ga1 Ni6 B1]'
_cell_volume [149.6122]
_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  2  0.3333  0.6667  0.6815  1.0
  Ga  Ga1  1  0.0000  0.0000  0.5000  1.0
  Ni  Ni2  6  0.1808  0.3615  0.1740  1.0
  B  B3  1  0.0000  0.0000  0.0000  1.0
]