data_[La16Co6Ni2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2596]
_cell_length_b [8.0953]
_cell_length_c [9.1846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Co3NiBr4]
_chemical_formula_sum '[La16 Co6 Ni2 Br8]'
_cell_volume [909.0065]
_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  0.0180  0.2561  0.3075  1.0
  La  La1  4  0.2347  0.5000  0.6933  1.0
  La  La2  4  0.2360  0.0000  0.6915  1.0
  Co  Co3  4  0.2500  0.2500  0.5000  1.0
  Co  Co4  2  0.0000  0.5000  0.5000  1.0
  Ni  Ni5  2  0.0000  0.0000  0.5000  1.0
  Br  Br6  4  0.2500  0.2500  0.0000  1.0
  Br  Br7  2  0.0000  0.0000  0.0000  1.0
  Br  Br8  2  0.0000  0.5000  0.0000  1.0
]