# generated using pymatgen
data_Ca3SmZn5Ni9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14455079
_cell_length_b   5.14455142
_cell_length_c   12.16857719
_cell_angle_alpha   77.79636876
_cell_angle_beta   77.79636852
_cell_angle_gamma   60.00000238
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3SmZn5Ni9
_chemical_formula_sum   'Ca3 Sm1 Zn5 Ni9'
_cell_volume   270.47463427
_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  0.95059630  0.95059630  0.14821311  1.0
  Ca  Ca1  1  0.04729743  0.04729743  0.85810471  1.0
  Ca  Ca2  1  0.85515022  0.85515022  0.43454834  1.0
  Sm  Sm3  1  0.14520581  0.14520581  0.56438156  1.0
  Zn  Zn4  1  0.50055632  0.50055632  0.49833204  1.0
  Zn  Zn5  1  0.72214696  0.72214696  0.83356113  1.0
  Zn  Zn6  1  0.27793735  0.27793735  0.16618695  1.0
  Zn  Zn7  1  0.61134676  0.61134676  0.16595771  1.0
  Zn  Zn8  1  0.38907852  0.38907852  0.83276545  1.0
  Ni  Ni9  1  0.00053318  0.49966552  0.00013577  1.0
  Ni  Ni10  1  0.49966552  0.00053318  0.00013577  1.0
  Ni  Ni11  1  0.49966552  0.49966552  0.00013577  1.0
  Ni  Ni12  1  0.38779611  0.38779611  0.33074204  1.0
  Ni  Ni13  1  0.89366673  0.38779611  0.33074204  1.0
  Ni  Ni14  1  0.38779611  0.89366673  0.33074204  1.0
  Ni  Ni15  1  0.61216964  0.61216964  0.66843885  1.0
  Ni  Ni16  1  0.10722188  0.61216964  0.66843885  1.0
  Ni  Ni17  1  0.61216964  0.10722188  0.66843885  1.0