# generated using pymatgen
data_CaGa3NiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27366332
_cell_length_b   6.27366419
_cell_length_c   5.38615320
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   101.87747862
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGa3NiRu
_chemical_formula_sum   'Ca2 Ga6 Ni2 Ru2'
_cell_volume   207.45405871
_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  0.34288175  0.34288175  0.25000100  1.0
  Ca  Ca1  1  0.65711625  0.65711625  0.75000000  1.0
  Ga  Ga2  1  0.53154946  0.91800536  0.25439713  1.0
  Ga  Ga3  1  0.46844854  0.08199264  0.75439613  1.0
  Ga  Ga4  1  0.08199264  0.46844854  0.74560387  1.0
  Ga  Ga5  1  0.91800536  0.53154946  0.24560487  1.0
  Ga  Ga6  1  0.95269766  0.95269766  0.25000100  1.0
  Ga  Ga7  1  0.04730234  0.04730234  0.75000000  1.0
  Ni  Ni8  1  0.79077066  0.20923034  0.00000000  1.0
  Ni  Ni9  1  0.20923034  0.79077066  0.50000100  1.0
  Ru  Ru10  1  0.20873109  0.79126991  0.00000000  1.0
  Ru  Ru11  1  0.79126991  0.20873109  0.50000100  1.0