# generated using pymatgen
data_LiHo(NiIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90530337
_cell_length_b   5.04037411
_cell_length_c   5.04037366
_cell_angle_alpha   61.47077622
_cell_angle_beta   60.88255898
_cell_angle_gamma   60.88257386
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHo(NiIr)2
_chemical_formula_sum   'Li1 Ho1 Ni2 Ir2'
_cell_volume   90.25406275
_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  0.74656041  0.75343959  0.75343959  1.0
  Ho  Ho1  1  0.49675217  0.50324783  0.50324783  1.0
  Ni  Ni2  1  0.12684939  0.12254424  0.12254424  1.0
  Ni  Ni3  1  0.62806312  0.12254424  0.12254424  1.0
  Ir  Ir4  1  0.12588795  0.12317048  0.62505461  1.0
  Ir  Ir5  1  0.12588795  0.62505461  0.12317048  1.0