# generated using pymatgen
data_CaAc(BIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15858484
_cell_length_b   6.18234765
_cell_length_c   5.60347426
_cell_angle_alpha   74.62068939
_cell_angle_beta   56.37725909
_cell_angle_gamma   49.00204346
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAc(BIr)4
_chemical_formula_sum   'Ca1 Ac1 B4 Ir4'
_cell_volume   153.94643619
_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  0.25000000  0.25000000  0.25000000  1.0
  Ac  Ac1  1  0.00000000  0.00000000  0.00000000  1.0
  B  B2  1  0.32733900  0.67266100  0.32733900  1.0
  B  B3  1  0.57110834  0.92889166  0.57110834  1.0
  B  B4  1  0.67266100  0.32733900  0.67266100  1.0
  B  B5  1  0.92889166  0.57110834  0.92889166  1.0
  Ir  Ir6  1  0.63280083  0.63280083  0.36719917  1.0
  Ir  Ir7  1  0.87855337  0.87855337  0.62144663  1.0
  Ir  Ir8  1  0.62144663  0.62144663  0.87855337  1.0
  Ir  Ir9  1  0.36719917  0.36719917  0.63280083  1.0