data_[Ti12In4Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  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 [9.6115]
_cell_length_b [3.9983]
_cell_length_c [9.4759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4013]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti3InAg]
_chemical_formula_sum '[Ti12 In4 Ag4]'
_cell_volume [364.1498]
_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
[
  Ti  Ti0  4  0.0550  0.0000  0.1477  1.0
  Ti  Ti1  4  0.1541  0.0000  0.4475  1.0
  Ti  Ti2  4  0.2484  0.5000  0.2502  1.0
  In  In3  4  0.0513  0.5000  0.6562  1.0
  Ag  Ag4  4  0.1503  0.5000  0.9540  1.0
]