data_[Tb4Ir4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ir  2.2000  1.3500  0.7650
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.5682]
_cell_length_b [3.7314]
_cell_length_c [6.7231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TbIrSe]
_chemical_formula_sum '[Tb4 Ir4 Se4]'
_cell_volume [265.1215]
_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
[
  Tb  Tb0  4  0.3314  0.0000  0.6148  1
  Ir  Ir1  2  0.0000  0.0000  0.5854  1
  Ir  Ir2  2  0.5000  0.0000  0.2865  1
  Se  Se3  4  0.1398  0.0000  0.2825  1
]