# generated using pymatgen
data_CaAc4Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93461753
_cell_length_b   11.59132327
_cell_length_c   11.59132327
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAc4Ir3
_chemical_formula_sum   'Ca4 Ac16 Ir12'
_cell_volume   931.72671839
_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  0.50000000  0.75000000  0.25000000  1.0
  Ca  Ca1  1  0.00000000  0.75000000  0.25000000  1.0
  Ca  Ca2  1  0.00000000  0.25000000  0.75000000  1.0
  Ca  Ca3  1  0.50000000  0.25000000  0.75000000  1.0
  Ac  Ac4  1  0.39858194  0.83908024  0.53932374  1.0
  Ac  Ac5  1  0.89858194  0.66091976  0.53932374  1.0
  Ac  Ac6  1  0.89858194  0.83908024  0.96067626  1.0
  Ac  Ac7  1  0.39858194  0.66091976  0.96067626  1.0
  Ac  Ac8  1  0.89858194  0.53932374  0.83908024  1.0
  Ac  Ac9  1  0.39858194  0.96067626  0.83908024  1.0
  Ac  Ac10  1  0.39858194  0.53932374  0.66091976  1.0
  Ac  Ac11  1  0.89858194  0.96067626  0.66091976  1.0
  Ac  Ac12  1  0.60141806  0.16091976  0.46067726  1.0
  Ac  Ac13  1  0.10141806  0.33908024  0.46067726  1.0
  Ac  Ac14  1  0.10141806  0.16091976  0.03932374  1.0
  Ac  Ac15  1  0.60141806  0.33908024  0.03932374  1.0
  Ac  Ac16  1  0.10141806  0.46067726  0.16091976  1.0
  Ac  Ac17  1  0.60141806  0.03932374  0.16091976  1.0
  Ac  Ac18  1  0.60141806  0.46067726  0.33908024  1.0
  Ac  Ac19  1  0.10141806  0.03932374  0.33908024  1.0
  Ir  Ir20  1  0.25000000  0.90463511  0.09536489  1.0
  Ir  Ir21  1  0.75000000  0.59536489  0.09536489  1.0
  Ir  Ir22  1  0.75000000  0.90463511  0.40463511  1.0
  Ir  Ir23  1  0.25000000  0.59536489  0.40463511  1.0
  Ir  Ir24  1  0.75000000  0.09536489  0.90463511  1.0
  Ir  Ir25  1  0.25000000  0.40463511  0.90463511  1.0
  Ir  Ir26  1  0.25000000  0.09536489  0.59536489  1.0
  Ir  Ir27  1  0.75000000  0.40463511  0.59536489  1.0
  Ir  Ir28  1  0.13237716  0.75000000  0.75000000  1.0
  Ir  Ir29  1  0.63237716  0.75000000  0.75000000  1.0
  Ir  Ir30  1  0.86762284  0.25000000  0.25000000  1.0
  Ir  Ir31  1  0.36762284  0.25000000  0.25000000  1.0