data_[La12Ge4Te2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7638]
_cell_length_b [4.4033]
_cell_length_c [8.6156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ge2TeCl3]
_chemical_formula_sum '[La12 Ge4 Te2 Cl6]'
_cell_volume [701.1200]
_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  0.0072  0.0000  0.2696  1.0
  La  La1  4  0.1698  0.5000  0.5756  1.0
  La  La2  4  0.1734  0.5000  0.1028  1.0
  Ge  Ge3  4  0.1673  0.0000  0.3336  1.0
  Te  Te4  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl5  4  0.1636  0.0000  0.8341  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]