data_[La4Ge4Te12]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5525]
_cell_length_b [8.5866]
_cell_length_c [12.5337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LaGeTe3]
_chemical_formula_sum '[La4 Ge4 Te12]'
_cell_volume [667.8229]
_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  0.2868  0.1245  0.7488  1.0
  Ge  Ge1  4  0.3577  0.5955  0.9328  1.0
  Te  Te2  4  0.0681  0.0346  0.2130  1.0
  Te  Te3  4  0.2110  0.6936  0.0654  1.0
  Te  Te4  4  0.4079  0.1774  0.0618  1.0
]