data_[Ta2Ag1Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8656]
_cell_length_b [4.6885]
_cell_length_c [5.0080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ta2AgIr]
_chemical_formula_sum '[Ta2 Ag1 Ir1]'
_cell_volume [67.2111]
_cell_formula_units_Z [1]
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  1  0.8222  0.5000  0.2976  1
  Ta  Ta1  1  0.9318  0.0000  0.9452  1
  Ag  Ag2  1  0.3828  0.0000  0.4547  1
  Ir  Ir3  1  0.3633  0.5000  0.8026  1
]