data_[La6Co1Sn2Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4424]
_cell_length_b [7.4616]
_cell_length_c [7.7142]
_cell_angle_alpha [118.8794]
_cell_angle_beta [117.6231]
_cell_angle_gamma [90.0706]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La6CoSn2Ir]
_chemical_formula_sum '[La6 Co1 Sn2 Ir1]'
_cell_volume [318.0538]
_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
[
  La  La0  2  0.1710  0.2910  0.9801  1.0
  La  La1  2  0.2463  0.2734  0.5030  1.0
  La  La2  2  0.3122  0.8293  0.0225  1.0
  Co  Co3  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn4  2  0.2471  0.7521  0.5000  1.0
  Ir  Ir5  1  0.5000  0.5000  0.0000  1.0
]