# generated using pymatgen
data_LiCa2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98463673
_cell_length_b   4.98463308
_cell_length_c   4.98463673
_cell_angle_alpha   60.00003397
_cell_angle_beta   60.00006795
_cell_angle_gamma   59.99995626
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa2Ir
_chemical_formula_sum   'Li1 Ca2 Ir1'
_cell_volume   87.57606228
_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  0.74999900  0.74999900  0.74999900  1.0
  Ca  Ca1  1  0.49999900  0.50000000  0.49999900  1.0
  Ca  Ca2  1  0.00000000  0.99999900  0.00000000  1.0
  Ir  Ir3  1  0.25000000  0.25000000  0.25000000  1.0