data_[Ta4In2Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.9216]
_cell_length_b [2.9418]
_cell_length_c [5.3337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9720]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ta2InAg]
_chemical_formula_sum '[Ta4 In2 Ag2]'
_cell_volume [152.8309]
_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
[
  Ta  Ta0  2  0.0096  0.0000  0.0341  1
  Ta  Ta1  2  0.2454  0.5000  0.2219  1
  In  In2  2  0.2496  0.0000  0.7300  1
  Ag  Ag3  2  0.4953  0.0000  0.5140  1
]