# generated using pymatgen
data_Ca4Zn3Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23981444
_cell_length_b   5.38244061
_cell_length_c   8.71716032
_cell_angle_alpha   90.00092275
_cell_angle_beta   89.99837926
_cell_angle_gamma   118.49626250
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4Zn3Ru5
_chemical_formula_sum   'Ca4 Zn3 Ru5'
_cell_volume   216.06482590
_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  0.32717829  0.67080289  0.44336578  1.0
  Ca  Ca1  1  0.66184763  0.33368959  0.93665636  1.0
  Ca  Ca2  1  0.66181333  0.33369245  0.56334615  1.0
  Ca  Ca3  1  0.32721964  0.67079939  0.05664003  1.0
  Zn  Zn4  1  0.34818024  0.15495942  0.24999895  1.0
  Zn  Zn5  1  0.17260067  0.34196948  0.75000082  1.0
  Zn  Zn6  1  0.84610511  0.65643176  0.24999691  1.0
  Ru  Ru7  1  0.96549687  0.99286344  0.49516326  1.0
  Ru  Ru8  1  0.96554716  0.99286452  0.00482891  1.0
  Ru  Ru9  1  0.67785729  0.84803032  0.74999464  1.0
  Ru  Ru10  1  0.19030492  0.84412893  0.75001138  1.0
  Ru  Ru11  1  0.85574385  0.15976780  0.24999681  1.0