data_[Co1Sn2H6Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.9392]
_cell_length_b [4.4578]
_cell_length_c [5.0246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4946]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CoSn2H6Ir]
_chemical_formula_sum '[Co1 Sn2 H6 Ir1]'
_cell_volume [108.7820]
_cell_formula_units_Z [1]
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
[
  Co  Co0  1  0.7788  0.0000  0.9102  1
  Sn  Sn1  1  0.2636  0.0000  0.8428  1
  Sn  Sn2  1  0.7387  0.5000  0.1572  1
  H  H3  2  0.3200  0.2593  0.3843  1
  H  H4  2  0.7643  0.2287  0.6496  1
  H  H5  1  0.1937  0.5000  0.7064  1
  Ir  Ir6  1  0.4866  0.5000  0.5933  1
  H  H7  1  0.8663  0.0000  0.2165  1
]