data_[La12In12Ag4]
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 [C2/m]
_cell_length_a [11.6050]
_cell_length_b [4.8689]
_cell_length_c [15.9958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3In3Ag]
_chemical_formula_sum '[La12 In12 Ag4]'
_cell_volume [849.9243]
_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  0.0439  0.5000  0.3853  1
  La  La1  4  0.1007  0.5000  0.9225  1
  La  La2  4  0.2368  0.5000  0.2302  1
  In  In3  4  0.0262  0.0000  0.2328  1
  In  In4  4  0.1141  0.0000  0.0769  1
  In  In5  4  0.1332  0.0000  0.5446  1
  Ag  Ag6  4  0.2449  0.0000  0.3916  1
]