data_[La8In4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1985]
_cell_length_b [3.7862]
_cell_length_c [8.0144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9263]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2In]
_chemical_formula_sum '[La8 In4]'
_cell_volume [388.7202]
_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  0.1236  0.0000  0.0273  1.0
  La  La1  4  0.1783  0.0000  0.6153  1.0
  In  In2  4  0.0278  0.5000  0.3042  1.0
]