# generated using pymatgen
data_Ca2Y3Pb3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.14274943
_cell_length_b   9.13177741
_cell_length_c   6.94022260
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.03975038
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Y3Pb3Cl
_chemical_formula_sum   'Ca4 Y6 Pb6 Cl2'
_cell_volume   501.60524630
_cell_formula_units_Z   2
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  0.99815104  0.25411232  0.25000000  1.0
  Ca  Ca1  1  0.00184896  0.74588768  0.75000000  1.0
  Ca  Ca2  1  0.74403872  0.74588768  0.25000000  1.0
  Ca  Ca3  1  0.25596128  0.25411232  0.75000000  1.0
  Y  Y4  1  0.25444272  0.00000000  0.25000000  1.0
  Y  Y5  1  0.74555728  1.00000000  0.75000000  1.0
  Y  Y6  1  0.33241298  0.66482596  0.00000000  1.0
  Y  Y7  1  0.66758702  0.33517404  0.00000000  1.0
  Y  Y8  1  0.66758702  0.33517404  0.50000000  1.0
  Y  Y9  1  0.33241298  0.66482596  0.50000000  1.0
  Pb  Pb10  1  0.60081849  1.00000000  0.25000000  1.0
  Pb  Pb11  1  0.39918151  0.00000000  0.75000000  1.0
  Pb  Pb12  1  0.00377413  0.60870735  0.25000000  1.0
  Pb  Pb13  1  0.99622587  0.39129265  0.75000000  1.0
  Pb  Pb14  1  0.39506679  0.39129265  0.25000000  1.0
  Pb  Pb15  1  0.60493321  0.60870735  0.75000000  1.0
  Cl  Cl16  1  0.00000000  0.00000000  0.00000000  1.0
  Cl  Cl17  1  0.00000000  0.00000000  0.50000000  1.0