data_[Ta1Ag1Ir1Se1]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.7633]
_cell_length_b [3.8056]
_cell_length_c [5.4222]
_cell_angle_alpha [77.7546]
_cell_angle_beta [82.8927]
_cell_angle_gamma [81.9904]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TaAgIrSe]
_chemical_formula_sum '[Ta1 Ag1 Ir1 Se1]'
_cell_volume [74.7915]
_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  0.4201  0.7184  0.2422  1
  Ag  Ag1  1  0.9114  0.1529  0.5583  1
  Ir  Ir2  1  0.8412  0.1587  0.0750  1
  Se  Se3  1  0.3585  0.5763  0.7764  1
]