# generated using pymatgen
data_CaSmGa3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52022878
_cell_length_b   5.52022988
_cell_length_c   8.70293167
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999925
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSmGa3Ru
_chemical_formula_sum   'Ca2 Sm2 Ga6 Ru2'
_cell_volume   229.67326801
_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  0.33333300  0.66666600  0.55315131  1.0
  Ca  Ca1  1  0.33333300  0.66666600  0.94684969  1.0
  Sm  Sm2  1  0.66666700  0.33333400  0.05187734  1.0
  Sm  Sm3  1  0.66666700  0.33333400  0.44812266  1.0
  Ga  Ga4  1  0.16140075  0.32280050  0.25000000  1.0
  Ga  Ga5  1  0.16139975  0.83859825  0.25000000  1.0
  Ga  Ga6  1  0.67719950  0.83859825  0.25000000  1.0
  Ga  Ga7  1  0.32131908  0.16066054  0.75000000  1.0
  Ga  Ga8  1  0.83934146  0.16066054  0.75000000  1.0
  Ga  Ga9  1  0.83934046  0.67868092  0.75000000  1.0
  Ru  Ru10  1  0.00000000  0.00000000  0.99866967  1.0
  Ru  Ru11  1  0.00000000  0.00000000  0.50133033  1.0