[CIF]
data_LiCa4Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32182338
_cell_length_b   6.32182338
_cell_length_c   6.32182338
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa4Ir
_chemical_formula_sum   'Li1 Ca4 Ir1'
_cell_volume   178.65372532
_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
  Ca  Ca0  1  5.57575314  5.57575314  3.36465522  1
  Ca  Ca1  1  5.57575314  3.36465522  5.57575314  1
  Ca  Ca2  1  3.36465522  5.57575314  5.57575314  1
  Ca  Ca3  1  3.36465522  3.36465522  3.36465522  1
  Ir  Ir4  1  6.70530627  6.70530627  6.70530627  1
  Li  Li5  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
