# generated using pymatgen
data_CaYbCu3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06790002
_cell_length_b   5.26898355
_cell_length_c   5.06790009
_cell_angle_alpha   61.25461219
_cell_angle_beta   59.99999952
_cell_angle_gamma   61.25461234
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYbCu3Ir
_chemical_formula_sum   'Ca1 Yb1 Cu3 Ir1'
_cell_volume   97.46494804
_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  0.00200921  0.99397236  0.00200921  1.0
  Yb  Yb1  1  0.74861044  0.75416769  0.74861044  1.0
  Cu  Cu2  1  0.37519680  0.37590367  0.37519680  1.0
  Cu  Cu3  1  0.87370374  0.37590367  0.37519680  1.0
  Cu  Cu4  1  0.37519680  0.37590367  0.87370374  1.0
  Ir  Ir5  1  0.37528402  0.87414795  0.37528402  1.0