# generated using pymatgen
data_CaTbNiIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17761927
_cell_length_b   5.17761997
_cell_length_c   5.17761867
_cell_angle_alpha   62.10944959
_cell_angle_beta   62.10946409
_cell_angle_gamma   62.10944577
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTbNiIr3
_chemical_formula_sum   'Ca1 Tb1 Ni1 Ir3'
_cell_volume   102.77381779
_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  0.99977958  0.99977958  0.99977958  1.0
  Tb  Tb1  1  0.24934743  0.24934743  0.24934743  1.0
  Ni  Ni2  1  0.62527107  0.62527107  0.62527107  1.0
  Ir  Ir3  1  0.12476132  0.62542030  0.62542030  1.0
  Ir  Ir4  1  0.62542030  0.12476132  0.62542030  1.0
  Ir  Ir5  1  0.62542030  0.62542030  0.12476132  1.0