data_[La12Co2Ni4Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9710]
_cell_length_b [12.5679]
_cell_length_c [7.8468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6CoNi2Cl3]
_chemical_formula_sum '[La12 Co2 Ni4 Cl6]'
_cell_volume [661.5406]
_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  0.2367  0.1628  0.2014  1.0
  La  La1  4  0.2499  0.0000  0.7989  1.0
  Co  Co2  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni3  4  0.0000  0.3336  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1648  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]