# generated using pymatgen
data_CaSi7Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03018608
_cell_length_b   8.03018608
_cell_length_c   8.03018601
_cell_angle_alpha   56.79927370
_cell_angle_beta   56.79927370
_cell_angle_gamma   56.79927159
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSi7Ir3
_chemical_formula_sum   'Ca2 Si14 Ir6'
_cell_volume   339.10317112
_cell_formula_units_Z   2
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  0.50000000  0.50000000  0.50000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1.0
  Si  Si2  1  0.06671900  0.84976500  0.67252000  1.0
  Si  Si3  1  0.67252000  0.06671900  0.84976500  1.0
  Si  Si4  1  0.84976500  0.67252000  0.06671900  1.0
  Si  Si5  1  0.17252000  0.34976500  0.56671900  1.0
  Si  Si6  1  0.56671900  0.17252000  0.34976500  1.0
  Si  Si7  1  0.34976500  0.56671900  0.17252000  1.0
  Si  Si8  1  0.93328100  0.15023500  0.32748000  1.0
  Si  Si9  1  0.32748000  0.93328100  0.15023500  1.0
  Si  Si10  1  0.15023500  0.32748000  0.93328100  1.0
  Si  Si11  1  0.82748000  0.65023500  0.43328100  1.0
  Si  Si12  1  0.43328100  0.82748000  0.65023500  1.0
  Si  Si13  1  0.65023500  0.43328100  0.82748000  1.0
  Si  Si14  1  0.75000000  0.75000000  0.75000000  1.0
  Si  Si15  1  0.25000000  0.25000000  0.25000000  1.0
  Ir  Ir16  1  0.07038700  0.75000000  0.42961300  1.0
  Ir  Ir17  1  0.42961300  0.07038700  0.75000000  1.0
  Ir  Ir18  1  0.75000000  0.42961300  0.07038700  1.0
  Ir  Ir19  1  0.92961300  0.25000000  0.57038700  1.0
  Ir  Ir20  1  0.57038700  0.92961300  0.25000000  1.0
  Ir  Ir21  1  0.25000000  0.57038700  0.92961300  1.0