# generated using pymatgen
data_Ca5La4PrRu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.06462552
_cell_length_b   9.06462626
_cell_length_c   7.43255779
_cell_angle_alpha   84.31785908
_cell_angle_beta   84.31785796
_cell_angle_gamma   43.41696241
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5La4PrRu4
_chemical_formula_sum   'Ca5 La4 Pr1 Ru4'
_cell_volume   417.35523368
_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  0.36382895  0.21729197  0.82228490  1.0
  Ca  Ca1  1  0.78270803  0.63617105  0.67771510  1.0
  Ca  Ca2  1  0.63817117  0.78587397  0.17701508  1.0
  Ca  Ca3  1  0.21412603  0.36182883  0.32298492  1.0
  Ca  Ca4  1  0.56506022  0.43493978  0.75000000  1.0
  La  La5  1  0.00308728  0.81052323  0.90074005  1.0
  La  La6  1  0.18947677  0.99691272  0.59925995  1.0
  La  La7  1  0.00073952  0.18671607  0.09626169  1.0
  La  La8  1  0.81328393  0.99926048  0.40373831  1.0
  Pr  Pr9  1  0.44508854  0.55491146  0.25000000  1.0
  Ru  Ru10  1  0.13016229  0.65939501  0.59312075  1.0
  Ru  Ru11  1  0.34060499  0.86983771  0.90687925  1.0
  Ru  Ru12  1  0.86129232  0.34763005  0.39962748  1.0
  Ru  Ru13  1  0.65236995  0.13870768  0.10037252  1.0