data_[La12Ni4Br6Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3247]
_cell_length_b [12.6642]
_cell_length_c [7.8939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9342]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ni2Br3Cl]
_chemical_formula_sum '[La12 Ni4 Br6 Cl2]'
_cell_volume [696.6705]
_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  8  0.2480  0.1789  0.2064  1
  La  La1  4  0.2099  0.5000  0.2020  1
  Ni  Ni2  4  0.0000  0.3327  0.0000  1
  Br  Br3  4  0.0000  0.1577  0.5000  1
  Br  Br4  2  0.0000  0.5000  0.5000  1
  Cl  Cl5  2  0.0000  0.0000  0.0000  1
]