data_[La4Sn4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6934]
_cell_length_b [4.7232]
_cell_length_c [8.5285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaSnTe3]
_chemical_formula_sum '[La4 Sn4 Te12]'
_cell_volume [726.9849]
_cell_formula_units_Z [4]
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  0.2219  0.0000  0.2486  1.0
  Sn  Sn1  4  0.0428  0.5000  0.7015  1.0
  Te  Te2  4  0.0346  0.0000  0.1702  1.0
  Te  Te3  4  0.1620  0.0000  0.5737  1.0
  Te  Te4  4  0.1638  0.5000  0.9898  1.0
]