# generated using pymatgen
data_Ca2La2MgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.15963100
_cell_length_b   10.15963023
_cell_length_c   10.29042468
_cell_angle_alpha   59.57321841
_cell_angle_beta   59.57322097
_cell_angle_gamma   60.85357675
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2La2MgIr
_chemical_formula_sum   'Ca8 La8 Mg4 Ir4'
_cell_volume   750.80702008
_cell_formula_units_Z   4
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  0.19319455  0.19319455  0.80680545  1.0
  Ca  Ca1  1  0.80680545  0.80680545  0.19319455  1.0
  Ca  Ca2  1  0.93782946  0.56217054  0.56217054  1.0
  Ca  Ca3  1  0.56217054  0.93782946  0.93782946  1.0
  Ca  Ca4  1  0.56217054  0.93782946  0.56217054  1.0
  Ca  Ca5  1  0.93782946  0.56217054  0.93782946  1.0
  Ca  Ca6  1  0.55269857  0.55269857  0.94730143  1.0
  Ca  Ca7  1  0.94730143  0.94730143  0.55269857  1.0
  La  La8  1  0.34097599  0.34097599  0.34713175  1.0
  La  La9  1  0.34097599  0.34097599  0.97091727  1.0
  La  La10  1  0.34713175  0.97091727  0.34097599  1.0
  La  La11  1  0.97091727  0.34713175  0.34097599  1.0
  La  La12  1  0.81127180  0.18872820  0.18872820  1.0
  La  La13  1  0.18872820  0.81127180  0.81127180  1.0
  La  La14  1  0.18872820  0.81127180  0.18872820  1.0
  La  La15  1  0.81127180  0.18872820  0.81127180  1.0
  Mg  Mg16  1  0.57544654  0.57544654  0.57947821  1.0
  Mg  Mg17  1  0.57544654  0.57544654  0.26962870  1.0
  Mg  Mg18  1  0.57947821  0.26962870  0.57544654  1.0
  Mg  Mg19  1  0.26962870  0.57947821  0.57544654  1.0
  Ir  Ir20  1  0.13173196  0.13173196  0.15603875  1.0
  Ir  Ir21  1  0.13173196  0.13173196  0.58049533  1.0
  Ir  Ir22  1  0.15603875  0.58049533  0.13173196  1.0
  Ir  Ir23  1  0.58049533  0.15603875  0.13173196  1.0