data_[Pr2Gd2C2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Gd  1.2000  1.8000  1.0750
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.7742]
_cell_length_b [3.7742]
_cell_length_c [14.7388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [PrGdCBr]
_chemical_formula_sum '[Pr2 Gd2 C2 Br2]'
_cell_volume [181.8227]
_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
[
  Pr  Pr0  2  0.3333  0.6667  0.5917  1
  Gd  Gd1  2  0.3333  0.6667  0.9089  1
  C  C2  2  0.0000  0.0000  0.4928  1
  Br  Br3  2  0.3333  0.6667  0.2566  1
]