# generated using pymatgen
data_CaAc3(MgIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29392229
_cell_length_b   7.42718394
_cell_length_c   8.73377539
_cell_angle_alpha   89.92304021
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAc3(MgIr)4
_chemical_formula_sum   'Ca1 Ac3 Mg4 Ir4'
_cell_volume   278.53513608
_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  0.75000000  0.46551110  0.82044923  1.0
  Ac  Ac1  1  0.25000000  0.03264455  0.31890948  1.0
  Ac  Ac2  1  0.25000000  0.53427166  0.17133541  1.0
  Ac  Ac3  1  0.75000000  0.96524797  0.68164749  1.0
  Mg  Mg4  1  0.25000000  0.14217490  0.94011141  1.0
  Mg  Mg5  1  0.25000000  0.62286195  0.56487421  1.0
  Mg  Mg6  1  0.75000000  0.86923122  0.05192227  1.0
  Mg  Mg7  1  0.75000000  0.36821884  0.44968337  1.0
  Ir  Ir8  1  0.25000000  0.25926716  0.62377094  1.0
  Ir  Ir9  1  0.25000000  0.77019508  0.87550627  1.0
  Ir  Ir10  1  0.75000000  0.73321797  0.37524834  1.0
  Ir  Ir11  1  0.75000000  0.23715759  0.12654157  1.0