# generated using pymatgen
data_Ca2Sm(B3Rh4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.85905104
_cell_length_b   9.00886093
_cell_length_c   5.57775340
_cell_angle_alpha   81.37612826
_cell_angle_beta   64.61280866
_cell_angle_gamma   34.01201394
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Sm(B3Rh4)2
_chemical_formula_sum   'Ca2 Sm1 B6 Rh8'
_cell_volume   228.73384832
_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  0.31547116  0.31546168  0.68452509  1.0
  Ca  Ca1  1  0.68452884  0.68453832  0.31547491  1.0
  Sm  Sm2  1  0.50000000  0.50000000  0.50000000  1.0
  B  B3  1  0.66903996  0.98738667  0.01261125  1.0
  B  B4  1  0.98738820  0.66903340  0.33094965  1.0
  B  B5  1  0.33096004  0.01261333  0.98738875  1.0
  B  B6  1  0.01261180  0.33096660  0.66905035  1.0
  B  B7  1  0.16691529  0.83308081  0.16691278  1.0
  B  B8  1  0.83308471  0.16691919  0.83308722  1.0
  Rh  Rh9  1  0.58535790  0.58538088  0.91462611  1.0
  Rh  Rh10  1  0.91334723  0.91328133  0.08664459  1.0
  Rh  Rh11  1  0.41464210  0.41461912  0.08537389  1.0
  Rh  Rh12  1  0.08536214  0.08537375  0.41462164  1.0
  Rh  Rh13  1  0.91463786  0.91462625  0.58537836  1.0
  Rh  Rh14  1  0.24999968  0.24999367  0.25000422  1.0
  Rh  Rh15  1  0.08665277  0.08671867  0.91335541  1.0
  Rh  Rh16  1  0.75000032  0.75000633  0.74999578  1.0