# generated using pymatgen
data_Ca4Zn5Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48245916
_cell_length_b   5.38003065
_cell_length_c   8.82595753
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.63180544
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4Zn5Ru3
_chemical_formula_sum   'Ca4 Zn5 Ru3'
_cell_volume   224.00222469
_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  0.33218212  0.66436524  0.05491668  1.0
  Ca  Ca1  1  0.66472018  0.32943936  0.55547869  1.0
  Ca  Ca2  1  0.66472018  0.32943936  0.94452131  1.0
  Ca  Ca3  1  0.33218212  0.66436524  0.44508332  1.0
  Zn  Zn4  1  0.15543547  0.83727323  0.75000000  1.0
  Zn  Zn5  1  0.68183776  0.83727323  0.75000000  1.0
  Zn  Zn6  1  0.34426898  0.19607226  0.25000000  1.0
  Zn  Zn7  1  0.85180327  0.19607226  0.25000000  1.0
  Zn  Zn8  1  0.15681480  0.31362859  0.75000000  1.0
  Ru  Ru9  1  0.98416058  0.96832115  0.01252752  1.0
  Ru  Ru10  1  0.98416058  0.96832115  0.48747248  1.0
  Ru  Ru11  1  0.84771496  0.69542992  0.25000000  1.0