# generated using pymatgen
data_CaSm(SiRh2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58860594
_cell_length_b   5.58862897
_cell_length_c   14.90030507
_cell_angle_alpha   90.00001201
_cell_angle_beta   90.00006004
_cell_angle_gamma   120.00036422
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSm(SiRh2)2
_chemical_formula_sum   'Ca3 Sm3 Si6 Rh12'
_cell_volume   403.02590674
_cell_formula_units_Z   3
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  0.33333396  0.66666911  0.24887413  1.0
  Ca  Ca1  1  0.66666397  0.33332787  0.75441630  1.0
  Ca  Ca2  1  0.66666346  0.33332797  0.95891720  1.0
  Sm  Sm3  1  0.33333394  0.66666473  0.03841695  1.0
  Sm  Sm4  1  0.33333562  0.66666690  0.45876636  1.0
  Sm  Sm5  1  0.66666073  0.33333088  0.54286483  1.0
  Si  Si6  1  0.00000048  0.00000067  0.99931899  1.0
  Si  Si7  1  0.00000182  0.99999973  0.24954516  1.0
  Si  Si8  1  0.66666819  0.33333244  0.24973950  1.0
  Si  Si9  1  0.00000030  0.00000049  0.50001017  1.0
  Si  Si10  1  0.99999646  0.99999846  0.74976568  1.0
  Si  Si11  1  0.33333047  0.66666152  0.75000991  1.0
  Rh  Rh12  1  0.33171447  0.16585841  0.13196143  1.0
  Rh  Rh13  1  0.83414132  0.16585726  0.13196100  1.0
  Rh  Rh14  1  0.83414080  0.66828475  0.13196117  1.0
  Rh  Rh15  1  0.33234524  0.16617470  0.36812903  1.0
  Rh  Rh16  1  0.83381843  0.16617082  0.36813037  1.0
  Rh  Rh17  1  0.83381589  0.66764793  0.36812987  1.0
  Rh  Rh18  1  0.16615834  0.33230515  0.63151556  1.0
  Rh  Rh19  1  0.16615842  0.83385537  0.63151522  1.0
  Rh  Rh20  1  0.66770864  0.83385596  0.63151513  1.0
  Rh  Rh21  1  0.16582231  0.33164434  0.86817994  1.0
  Rh  Rh22  1  0.16582322  0.83418668  0.86817810  1.0
  Rh  Rh23  1  0.66836251  0.83418487  0.86817801  1.0