data_[Sr2Tc2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tc  1.9000  1.3500  0.7417
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.8478]
_cell_length_b [4.8884]
_cell_length_c [10.4779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [SrTcIr2]
_chemical_formula_sum '[Sr2 Tc2 Ir4]'
_cell_volume [145.8670]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.4974  1
  Tc  Tc1  2  0.0000  0.5000  0.2865  1
  Ir  Ir2  2  0.0000  0.0000  0.9965  1
  Ir  Ir3  2  0.0000  0.5000  0.7196  1
]