data_[Ca4Ga2Sn6Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.7816]
_cell_length_b [4.3303]
_cell_length_c [7.5043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ca2GaSn3Ir2]
_chemical_formula_sum '[Ca4 Ga2 Sn6 Ir4]'
_cell_volume [350.3540]
_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
[
  Ca  Ca0  2  0.0695  0.5000  0.2659  1
  Ca  Ca1  2  0.4325  0.0000  0.7440  1
  Ga  Ga2  2  0.1542  0.0000  0.5498  1
  Sn  Sn3  2  0.1410  0.0000  0.9469  1
  Sn  Sn4  2  0.3539  0.5000  0.0453  1
  Sn  Sn5  2  0.3576  0.5000  0.4537  1
  Ir  Ir6  2  0.2078  0.5000  0.7418  1
  Ir  Ir7  2  0.2835  0.0000  0.2525  1
]