data_[La12In16Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.7109]
_cell_length_b [8.7109]
_cell_length_c [12.1425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [La3In4Ge]
_chemical_formula_sum '[La12 In16 Ge4]'
_cell_volume [921.3786]
_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  8  0.1630  0.3370  0.0000  1.0
  La  La1  4  0.0000  0.0000  0.2500  1.0
  In  In2  16  0.1434  0.3566  0.3154  1.0
  Ge  Ge3  4  0.0000  0.0000  0.0000  1.0
]