data_[La4Sb2Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.6290]
_cell_length_b [6.5030]
_cell_length_c [9.1957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [La2SbTe]
_chemical_formula_sum '[La4 Sb2 Te2]'
_cell_volume [276.8121]
_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  2  0.0000  0.0000  0.3812  1.0
  La  La1  2  0.0000  0.0000  0.8681  1.0
  Sb  Sb2  2  0.0000  0.5000  0.3733  1.0
  Te  Te3  2  0.0000  0.5000  0.8759  1.0
]