data_[La2Te2Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.4341]
_cell_length_b [8.8707]
_cell_length_c [18.3976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LaTeCl]
_chemical_formula_sum '[La2 Te2 Cl2]'
_cell_volume [723.6418]
_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  1  0.0359  0.5000  0.4707  1
  La  La1  1  0.0362  0.0000  0.4702  1
  Te  Te2  2  0.5361  0.2501  0.4226  1
  Cl  Cl3  1  0.0078  0.5000  0.6072  1
  Cl  Cl4  1  0.0315  0.0000  0.6068  1
]