data_[Li2Cu1Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.4896]
_cell_length_b [4.2826]
_cell_length_c [5.0259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1150]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Li2CuIr]
_chemical_formula_sum '[Li2 Cu1 Ir1]'
_cell_volume [52.7529]
_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
[
  Li  Li0  1  0.0818  0.0000  0.0010  1.0
  Li  Li1  1  0.2436  0.5000  0.7567  1.0
  Cu  Cu2  1  0.4048  0.0000  0.4824  1.0
  Ir  Ir3  1  0.7698  0.5000  0.2598  1.0
]