# generated using pymatgen
data_Ca5Ac5(Pb3Cl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.80332805
_cell_length_b   9.80330912
_cell_length_c   7.10954649
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.86421094
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Ac5(Pb3Cl)2
_chemical_formula_sum   'Ca5 Ac5 Pb6 Cl2'
_cell_volume   592.53141897
_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  0.26200991  0.26200847  0.75000000  1.0
  Ca  Ca1  1  0.33262560  0.66288360  0.99827678  1.0
  Ca  Ca2  1  0.66288531  0.33262683  0.99827713  1.0
  Ca  Ca3  1  0.66288531  0.33262683  0.50172287  1.0
  Ca  Ca4  1  0.33262560  0.66288360  0.50172322  1.0
  Ac  Ac5  1  0.26800656  0.00188917  0.25000000  1.0
  Ac  Ac6  1  0.73357496  0.00082931  0.75000000  1.0
  Ac  Ac7  1  0.00188892  0.26800874  0.25000000  1.0
  Ac  Ac8  1  0.00082832  0.73357204  0.75000000  1.0
  Ac  Ac9  1  0.73724956  0.73724919  0.25000000  1.0
  Pb  Pb10  1  0.60984488  0.00050534  0.25000000  1.0
  Pb  Pb11  1  0.38939673  0.00349199  0.75000000  1.0
  Pb  Pb12  1  0.00049439  0.60983773  0.25000000  1.0
  Pb  Pb13  1  0.00349380  0.38939887  0.75000000  1.0
  Pb  Pb14  1  0.39352271  0.39352364  0.25000000  1.0
  Pb  Pb15  1  0.60277788  0.60277506  0.75000000  1.0
  Cl  Cl16  1  0.00294628  0.00294629  0.99746347  1.0
  Cl  Cl17  1  0.00294628  0.00294629  0.50253653  1.0