# generated using pymatgen
data_Ca4MgIr7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39546301
_cell_length_b   5.39546314
_cell_length_c   8.64664894
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001122
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4MgIr7
_chemical_formula_sum   'Ca4 Mg1 Ir7'
_cell_volume   217.98964214
_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  0.33333400  0.66666700  0.07617989  1.0
  Ca  Ca1  1  0.33333400  0.66666700  0.43531691  1.0
  Ca  Ca2  1  0.66666600  0.33333400  0.56468409  1.0
  Ca  Ca3  1  0.66666600  0.33333400  0.92382111  1.0
  Mg  Mg4  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir5  1  0.34342224  0.17171212  0.25541011  1.0
  Ir  Ir6  1  0.82828788  0.17171212  0.25541011  1.0
  Ir  Ir7  1  0.82828788  0.65657676  0.25541011  1.0
  Ir  Ir8  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir9  1  0.17171112  0.34342124  0.74458989  1.0
  Ir  Ir10  1  0.17171212  0.82828788  0.74458989  1.0
  Ir  Ir11  1  0.65657676  0.82828788  0.74458989  1.0