data_[La12In4Ag2]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [9.8690]
_cell_length_b [10.1120]
_cell_length_c [5.6232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [La6In2Ag]
_chemical_formula_sum '[La12 In4 Ag2]'
_cell_volume [561.1731]
_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  4  0.0056  0.1807  0.0000  1.0
  La  La1  4  0.1508  0.6032  0.5000  1.0
  La  La2  4  0.1743  0.9093  0.5000  1.0
  In  In3  4  0.1735  0.2545  0.5000  1.0
  Ag  Ag4  2  0.0000  0.5000  0.0000  1.0
]