# generated using pymatgen
data_Ce3RuCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.15533107
_cell_length_b   10.15533097
_cell_length_c   10.15533156
_cell_angle_alpha   109.47121977
_cell_angle_beta   109.47121957
_cell_angle_gamma   109.47122476
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce3RuCl3
_chemical_formula_sum   'Ce12 Ru4 Cl12'
_cell_volume   806.23263365
_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
  Ce  Ce0  1  0.26092450  0.75000000  0.23907550  1.0
  Ce  Ce1  1  0.48907550  0.75000000  0.01092450  1.0
  Ce  Ce2  1  0.23907550  0.47815099  0.48907550  1.0
  Ce  Ce3  1  0.01092450  0.02184901  0.26092450  1.0
  Ce  Ce4  1  0.23907550  0.26092450  0.75000000  1.0
  Ce  Ce5  1  0.01092450  0.48907550  0.75000000  1.0
  Ce  Ce6  1  0.48907550  0.23907550  0.47815099  1.0
  Ce  Ce7  1  0.26092450  0.01092450  0.02184901  1.0
  Ce  Ce8  1  0.75000000  0.23907550  0.26092450  1.0
  Ce  Ce9  1  0.75000000  0.01092450  0.48907550  1.0
  Ce  Ce10  1  0.47815099  0.48907550  0.23907550  1.0
  Ce  Ce11  1  0.02184901  0.26092450  0.01092450  1.0
  Ru  Ru12  1  0.50000000  0.00000000  0.25000000  1.0
  Ru  Ru13  1  0.25000000  0.50000000  0.00000000  1.0
  Ru  Ru14  1  0.00000000  0.25000000  0.50000000  1.0
  Ru  Ru15  1  0.25000000  0.25000000  0.25000000  1.0
  Cl  Cl16  1  0.25000000  0.99673345  0.50326655  1.0
  Cl  Cl17  1  0.50653409  0.50326655  0.75326655  1.0
  Cl  Cl18  1  0.25000000  0.75326655  0.74673345  1.0
  Cl  Cl19  1  0.99346591  0.74673345  0.99673345  1.0
  Cl  Cl20  1  0.99673345  0.50326655  0.25000000  1.0
  Cl  Cl21  1  0.74673345  0.99673345  0.99346591  1.0
  Cl  Cl22  1  0.75326655  0.74673345  0.25000000  1.0
  Cl  Cl23  1  0.50326655  0.75326655  0.50653409  1.0
  Cl  Cl24  1  0.50326655  0.25000000  0.99673345  1.0
  Cl  Cl25  1  0.75326655  0.50653409  0.50326655  1.0
  Cl  Cl26  1  0.74673345  0.25000000  0.75326655  1.0
  Cl  Cl27  1  0.99673345  0.99346591  0.74673345  1.0