# generated using pymatgen
data_Ca3Sn13Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.77304614
_cell_length_b   9.77303408
_cell_length_c   9.77304487
_cell_angle_alpha   89.99999765
_cell_angle_beta   89.99998147
_cell_angle_gamma   89.99995650
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Sn13Ir4
_chemical_formula_sum   'Ca6 Sn26 Ir8'
_cell_volume   933.44612050
_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  0.49999605  0.99999820  0.75000559  1.0
  Ca  Ca1  1  0.00000240  0.24999803  0.49999606  1.0
  Ca  Ca2  1  0.74999465  0.49999999  0.00000448  1.0
  Ca  Ca3  1  0.49999821  0.00000093  0.24999439  1.0
  Ca  Ca4  1  0.00000351  0.75000193  0.49999801  1.0
  Ca  Ca5  1  0.25000539  0.50000106  0.00000159  1.0
  Sn  Sn6  1  0.49999803  0.50000043  0.49999743  1.0
  Sn  Sn7  1  0.00000189  0.99999941  0.00000253  1.0
  Sn  Sn8  1  0.65208621  0.19676415  0.49999587  1.0
  Sn  Sn9  1  0.80323241  0.49999954  0.65208969  1.0
  Sn  Sn10  1  0.49999823  0.34791147  0.80324014  1.0
  Sn  Sn11  1  0.34791104  0.80323598  0.49999877  1.0
  Sn  Sn12  1  0.19676967  0.50000045  0.34790602  1.0
  Sn  Sn13  1  0.49999780  0.65208912  0.19676211  1.0
  Sn  Sn14  1  0.65208513  0.80323659  0.49999596  1.0
  Sn  Sn15  1  0.80323134  0.49999928  0.34790571  1.0
  Sn  Sn16  1  0.34791231  0.19676322  0.49999675  1.0
  Sn  Sn17  1  0.19676960  0.50000181  0.65209240  1.0
  Sn  Sn18  1  0.49999587  0.65208915  0.80323884  1.0
  Sn  Sn19  1  0.49999980  0.34791000  0.19676301  1.0
  Sn  Sn20  1  0.15209263  0.99999827  0.69676939  1.0
  Sn  Sn21  1  0.30323637  0.15208741  0.00000253  1.0
  Sn  Sn22  1  0.00000184  0.30323445  0.84791499  1.0
  Sn  Sn23  1  0.84790828  0.00000068  0.30322830  1.0
  Sn  Sn24  1  0.69676147  0.84791321  0.00000400  1.0
  Sn  Sn25  1  0.00000205  0.69676619  0.15208806  1.0
  Sn  Sn26  1  0.15209280  -0.00000046  0.30322914  1.0
  Sn  Sn27  1  0.30323617  0.84791143  0.00000120  1.0
  Sn  Sn28  1  0.84791058  0.00000063  0.69676913  1.0
  Sn  Sn29  1  0.69676205  0.15208716  0.00000416  1.0
  Sn  Sn30  1  0.00000020  0.30323283  0.15208879  1.0
  Sn  Sn31  1  0.00000417  0.69676681  0.84791512  1.0
  Ir  Ir32  1  0.74999714  0.24999961  0.75000444  1.0
  Ir  Ir33  1  0.25000293  0.75000076  0.24999592  1.0
  Ir  Ir34  1  0.74999640  0.75000094  0.24999542  1.0
  Ir  Ir35  1  0.25000357  0.24999901  0.75000363  1.0
  Ir  Ir36  1  0.25000285  0.75000088  0.75000412  1.0
  Ir  Ir37  1  0.74999648  0.24999906  0.24999554  1.0
  Ir  Ir38  1  0.25000347  0.24999936  0.24999599  1.0
  Ir  Ir39  1  0.74999703  0.75000101  0.75000477  1.0