# generated using pymatgen
data_CaYNiIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17718760
_cell_length_b   5.17718803
_cell_length_c   5.17718693
_cell_angle_alpha   62.06812583
_cell_angle_beta   62.06814137
_cell_angle_gamma   62.06812535
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYNiIr3
_chemical_formula_sum   'Ca1 Y1 Ni1 Ir3'
_cell_volume   102.65885481
_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  0.99977413  0.99977413  0.99977413  1.0
  Y  Y1  1  0.24953083  0.24953083  0.24953083  1.0
  Ni  Ni2  1  0.62520815  0.62520815  0.62520815  1.0
  Ir  Ir3  1  0.12460831  0.62543929  0.62543929  1.0
  Ir  Ir4  1  0.62543929  0.12460831  0.62543929  1.0
  Ir  Ir5  1  0.62543929  0.62543929  0.12460831  1.0