data_[Sn4As4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4922]
_cell_length_b [6.3737]
_cell_length_c [6.5699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SnAsIr]
_chemical_formula_sum '[Sn4 As4 Ir4]'
_cell_volume [250.2862]
_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
[
  Sn  Sn0  4  0.1424  0.6359  0.3797  1.0
  As  As1  4  0.3474  0.1315  0.6763  1.0
  Ir  Ir2  4  0.2951  0.0176  0.3049  1.0
]