# generated using pymatgen
data_CaSi3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76280569
_cell_length_b   5.76280569
_cell_length_c   5.76280569
_cell_angle_alpha   137.37530472
_cell_angle_beta   137.37530472
_cell_angle_gamma   61.86110820
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSi3Ir
_chemical_formula_sum   'Ca1 Si3 Ir1'
_cell_volume   86.74361442
_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  0.99997465  0.99997465  0.00000000  1.0
  Si  Si1  1  0.40895194  0.40895194  -0.00000000  1.0
  Si  Si2  1  0.25904259  0.75904259  0.50000000  1.0
  Si  Si3  1  0.75904259  0.25904259  0.50000000  1.0
  Ir  Ir4  1  0.64711824  0.64711824  0.00000000  1.0