# generated using pymatgen
data_CaTb(NiIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06633510
_cell_length_b   5.17459100
_cell_length_c   5.17459246
_cell_angle_alpha   62.01659745
_cell_angle_beta   60.68967498
_cell_angle_gamma   60.68966237
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTb(NiIr)2
_chemical_formula_sum   'Ca1 Tb1 Ni2 Ir2'
_cell_volume   98.33420444
_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  0.00180932  0.99819068  0.99819068  1.0
  Tb  Tb1  1  0.25031190  0.24968810  0.24968810  1.0
  Ni  Ni2  1  0.62463934  0.62550814  0.62550814  1.0
  Ni  Ni3  1  0.12434439  0.62550814  0.62550814  1.0
  Ir  Ir4  1  0.62444703  0.12521461  0.62589133  1.0
  Ir  Ir5  1  0.62444703  0.62589133  0.12521461  1.0