# generated using pymatgen
data_BaCaSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35114017
_cell_length_b   9.35114017
_cell_length_c   17.39672307
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.55420975
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCaSn3
_chemical_formula_sum   'Ba8 Ca8 Sn24'
_cell_volume   1336.20082309
_cell_formula_units_Z   8
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
  Ba  Ba0  1  0.32264136  0.32264136  0.91418298  1.0
  Ba  Ba1  1  0.71759500  0.28240500  0.50000000  1.0
  Ba  Ba2  1  0.67735864  0.67735864  0.08581702  1.0
  Ba  Ba3  1  0.17735864  0.17735864  0.41418298  1.0
  Ba  Ba4  1  0.28240500  0.71759500  0.50000000  1.0
  Ba  Ba5  1  0.78240500  0.21759500  0.00000000  1.0
  Ba  Ba6  1  0.82264136  0.82264136  0.58581702  1.0
  Ba  Ba7  1  0.21759500  0.78240500  0.00000000  1.0
  Ca  Ca8  1  0.14368409  0.87523164  0.22847210  1.0
  Ca  Ca9  1  0.12476836  0.85631591  0.77152790  1.0
  Ca  Ca10  1  0.35631591  0.62476836  0.72847210  1.0
  Ca  Ca11  1  0.37523164  0.64368409  0.27152790  1.0
  Ca  Ca12  1  0.62476836  0.35631591  0.72847210  1.0
  Ca  Ca13  1  0.64368409  0.37523164  0.27152790  1.0
  Ca  Ca14  1  0.87523164  0.14368409  0.22847210  1.0
  Ca  Ca15  1  0.85631591  0.12476836  0.77152790  1.0
  Sn  Sn16  1  0.06828673  0.30584436  0.59321669  1.0
  Sn  Sn17  1  0.43171327  0.19415564  0.09321669  1.0
  Sn  Sn18  1  0.43161309  0.43161309  0.58568848  1.0
  Sn  Sn19  1  0.48882752  0.03938529  0.83512237  1.0
  Sn  Sn20  1  0.78030431  0.78030431  0.28210568  1.0
  Sn  Sn21  1  0.98882752  0.53938529  0.66487763  1.0
  Sn  Sn22  1  0.53938529  0.98882752  0.66487763  1.0
  Sn  Sn23  1  0.30584436  0.06828673  0.59321669  1.0
  Sn  Sn24  1  0.01117248  0.46061471  0.33512237  1.0
  Sn  Sn25  1  0.51117248  0.96061471  0.16487763  1.0
  Sn  Sn26  1  0.19415564  0.43171327  0.09321669  1.0
  Sn  Sn27  1  0.71969569  0.71969569  0.78210568  1.0
  Sn  Sn28  1  0.56838691  0.56838691  0.41431152  1.0
  Sn  Sn29  1  0.28030431  0.28030431  0.21789432  1.0
  Sn  Sn30  1  0.56828673  0.80584436  0.90678331  1.0
  Sn  Sn31  1  0.80584436  0.56828673  0.90678331  1.0
  Sn  Sn32  1  0.03938529  0.48882752  0.83512237  1.0
  Sn  Sn33  1  0.06838691  0.06838691  0.08568848  1.0
  Sn  Sn34  1  0.46061471  0.01117248  0.33512237  1.0
  Sn  Sn35  1  0.21969569  0.21969569  0.71789432  1.0
  Sn  Sn36  1  0.69415564  0.93171327  0.40678331  1.0
  Sn  Sn37  1  0.96061471  0.51117248  0.16487763  1.0
  Sn  Sn38  1  0.93171327  0.69415564  0.40678331  1.0
  Sn  Sn39  1  0.93161309  0.93161309  0.91431152  1.0