data_[Gd2Bi6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.8275]
_cell_length_b [6.8275]
_cell_length_c [6.1015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [GdBi3]
_chemical_formula_sum '[Gd2 Bi6]'
_cell_volume [246.3137]
_cell_formula_units_Z [2]
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
[
  Gd  Gd0  2  0.3333  0.6667  0.2500  1.0
  Bi  Bi1  6  0.1716  0.3432  0.7500  1.0
]