# generated using pymatgen
data_CaSmSc3Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71569771
_cell_length_b   8.05962901
_cell_length_c   14.98991666
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSmSc3Sn4
_chemical_formula_sum   'Ca4 Sm4 Sc12 Sn16'
_cell_volume   932.15787679
_cell_formula_units_Z   4
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  0.50705297  0.32359172  0.90600842  1.0
  Ca  Ca1  1  0.00705297  0.17640828  0.59399158  1.0
  Ca  Ca2  1  0.49294703  0.67640828  0.40600842  1.0
  Ca  Ca3  1  0.99294703  0.82359172  0.09399158  1.0
  Sm  Sm4  1  0.49693891  0.67781286  0.09538594  1.0
  Sm  Sm5  1  0.99693891  0.82218714  0.40461406  1.0
  Sm  Sm6  1  0.50306109  0.32218714  0.59538594  1.0
  Sm  Sm7  1  0.00306109  0.17781286  0.90461406  1.0
  Sc  Sc8  1  0.33048483  0.84099205  0.87143483  1.0
  Sc  Sc9  1  0.83048483  0.65900795  0.62856517  1.0
  Sc  Sc10  1  0.66951517  0.15900795  0.37143483  1.0
  Sc  Sc11  1  0.16951517  0.34099205  0.12856517  1.0
  Sc  Sc12  1  0.66991917  0.15865911  0.12734175  1.0
  Sc  Sc13  1  0.16991917  0.34134089  0.37265825  1.0
  Sc  Sc14  1  0.33008083  0.84134089  0.62734175  1.0
  Sc  Sc15  1  0.83008083  0.65865911  0.87265825  1.0
  Sc  Sc16  1  0.16619657  0.50069128  0.75089054  1.0
  Sc  Sc17  1  0.66619657  0.99930872  0.74910946  1.0
  Sc  Sc18  1  0.83380343  0.49930872  0.25089054  1.0
  Sc  Sc19  1  0.33380343  0.00069128  0.24910946  1.0
  Sn  Sn20  1  0.32629207  0.04077719  0.04306319  1.0
  Sn  Sn21  1  0.82629207  0.45922281  0.45693681  1.0
  Sn  Sn22  1  0.67370793  0.95922281  0.54306319  1.0
  Sn  Sn23  1  0.17370793  0.54077719  0.95693681  1.0
  Sn  Sn24  1  0.67028613  0.95636954  0.95649368  1.0
  Sn  Sn25  1  0.17028613  0.54363046  0.54350632  1.0
  Sn  Sn26  1  0.32971387  0.04363046  0.45649368  1.0
  Sn  Sn27  1  0.82971387  0.45636954  0.04350632  1.0
  Sn  Sn28  1  0.52485832  0.63034208  0.74886804  1.0
  Sn  Sn29  1  0.02485832  0.86965792  0.75113196  1.0
  Sn  Sn30  1  0.47514168  0.36965792  0.24886804  1.0
  Sn  Sn31  1  0.97514168  0.13034208  0.25113196  1.0
  Sn  Sn32  1  0.30813170  0.14668572  0.75058358  1.0
  Sn  Sn33  1  0.80813170  0.35331428  0.74941642  1.0
  Sn  Sn34  1  0.69186830  0.85331428  0.25058358  1.0
  Sn  Sn35  1  0.19186830  0.64668572  0.24941642  1.0