data_[La2Nd2C2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.8430]
_cell_length_b [3.8430]
_cell_length_c [15.1601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [LaNdCBr]
_chemical_formula_sum '[La2 Nd2 C2 Br2]'
_cell_volume [193.8996]
_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
[
  La  La0  2  0.3333  0.6667  0.1610  1
  Nd  Nd1  2  0.0000  0.0000  0.3451  1
  C  C2  2  0.6667  0.3333  0.2560  1
  Br  Br3  1  0.0000  0.0000  0.0000  1
  Br  Br4  1  0.3333  0.6667  0.5000  1
]