# generated using pymatgen
data_CaTbFeIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13709753
_cell_length_b   5.13709838
_cell_length_c   5.13709763
_cell_angle_alpha   64.23519412
_cell_angle_beta   64.23518520
_cell_angle_gamma   64.23519163
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTbFeIr3
_chemical_formula_sum   'Ca1 Tb1 Fe1 Ir3'
_cell_volume   104.78409814
_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  0.62541729  0.62541729  0.62541729  1.0
  Tb  Tb1  1  0.37448263  0.37448263  0.37448263  1.0
  Fe  Fe2  1  0.00034269  0.00034269  0.00034269  1.0
  Ir  Ir3  1  0.99948727  0.50078285  0.99948727  1.0
  Ir  Ir4  1  0.50078285  0.99948727  0.99948727  1.0
  Ir  Ir5  1  0.99948727  0.99948727  0.50078285  1.0