# generated using pymatgen
data_CaMgIn3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18004203
_cell_length_b   7.53639689
_cell_length_c   8.61852053
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMgIn3Ir
_chemical_formula_sum   'Ca2 Mg2 In6 Ir2'
_cell_volume   271.50456129
_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  0.00000000  0.40372852  0.25000000  1.0
  Ca  Ca1  1  0.00000000  0.59627148  0.75000000  1.0
  Mg  Mg2  1  0.00000000  0.00000000  0.00000000  1.0
  Mg  Mg3  1  0.00000000  0.00000000  0.50000000  1.0
  In  In4  1  0.50000000  0.30836255  0.55980442  1.0
  In  In5  1  0.50000000  0.05814586  0.25000000  1.0
  In  In6  1  0.50000000  0.94185414  0.75000000  1.0
  In  In7  1  0.50000000  0.30836255  0.94019558  1.0
  In  In8  1  0.50000000  0.69163745  0.05980442  1.0
  In  In9  1  0.50000000  0.69163745  0.44019558  1.0
  Ir  Ir10  1  0.00000000  0.80296451  0.25000000  1.0
  Ir  Ir11  1  0.00000000  0.19703549  0.75000000  1.0