data_[Sn2Bi10Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.4373]
_cell_length_b [4.1353]
_cell_length_c [20.6854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SnBi5Ir3]
_chemical_formula_sum '[Sn2 Bi10 Ir6]'
_cell_volume [465.0972]
_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
[
  Sn  Sn0  2  0.2539  0.0000  0.2269  1
  Bi  Bi1  2  0.0413  0.5000  0.9040  1
  Bi  Bi2  2  0.2185  0.0000  0.5474  1
  Bi  Bi3  2  0.2784  0.5000  0.3806  1
  Bi  Bi4  2  0.2864  0.5000  0.7169  1
  Bi  Bi5  2  0.4589  0.0000  0.0742  1
  Ir  Ir6  2  0.0069  0.0000  0.6693  1
  Ir  Ir7  2  0.4550  0.5000  0.1642  1
  Ir  Ir8  1  0.0000  0.0000  0.0000  1
  Ir  Ir9  1  0.5000  0.5000  0.5000  1
]