# generated using pymatgen
data_CaLaNiIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40545891
_cell_length_b   5.40545865
_cell_length_c   5.24545078
_cell_angle_alpha   58.98569412
_cell_angle_beta   58.98569236
_cell_angle_gamma   59.99999534
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLaNiIr3
_chemical_formula_sum   'Ca1 La1 Ni1 Ir3'
_cell_volume   106.68458198
_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  0.00011880  0.00011880  0.99964259  1.0
  La  La1  1  0.75042111  0.75042111  0.74873767  1.0
  Ni  Ni2  1  0.37440218  0.37440218  0.87679347  1.0
  Ir  Ir3  1  0.37446748  0.87612295  0.37494209  1.0
  Ir  Ir4  1  0.37446748  0.37446748  0.37494209  1.0
  Ir  Ir5  1  0.87612295  0.37446748  0.37494209  1.0