data_[La12Te2Ir4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8307]
_cell_length_b [4.2730]
_cell_length_c [8.9110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6TeIr2Cl3]
_chemical_formula_sum '[La12 Te2 Ir4 Cl6]'
_cell_volume [700.2109]
_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  4  0.0180  0.0000  0.2715  1.0
  La  La1  4  0.1759  0.5000  0.5596  1.0
  La  La2  4  0.1773  0.5000  0.1204  1.0
  Te  Te3  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir4  4  0.1706  0.0000  0.3318  1.0
  Cl  Cl5  4  0.1529  0.0000  0.8270  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]