data_[Ta4Co4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.6096]
_cell_length_b [3.8827]
_cell_length_c [5.3771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1175]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaCoIr]
_chemical_formula_sum '[Ta4 Co4 Ir4]'
_cell_volume [173.5266]
_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
[
  Ta  Ta0  2  0.0211  0.0000  0.5009  1.0
  Ta  Ta1  2  0.2252  0.5000  0.8699  1.0
  Co  Co2  2  0.1990  0.5000  0.3759  1.0
  Co  Co3  2  0.3689  0.0000  0.6868  1.0
  Ir  Ir4  2  0.0467  0.0000  0.0042  1.0
  Ir  Ir5  2  0.3727  0.0000  0.1999  1.0
]