# generated using pymatgen
data_Ba2Sm3Si3SeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.10036640
_cell_length_b   10.10036640
_cell_length_c   7.20526700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000259
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Sm3Si3SeO12
_chemical_formula_sum   'Ba4 Sm6 Si6 Se2 O24'
_cell_volume   636.58288149
_cell_formula_units_Z   2
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  0.66666700  0.33333300  0.99819300  1.0
  Ba  Ba1  1  0.33333300  0.66666700  0.00180700  1.0
  Ba  Ba2  1  0.33333300  0.66666700  0.49819300  1.0
  Ba  Ba3  1  0.66666700  0.33333300  0.50180700  1.0
  Sm  Sm4  1  0.73349700  0.99557300  0.75000000  1.0
  Sm  Sm5  1  0.26650300  0.00442700  0.25000000  1.0
  Sm  Sm6  1  0.26207600  0.26650300  0.75000000  1.0
  Sm  Sm7  1  0.73792400  0.73349700  0.25000000  1.0
  Sm  Sm8  1  0.00442700  0.73792400  0.75000000  1.0
  Sm  Sm9  1  0.99557300  0.26207600  0.25000000  1.0
  Si  Si10  1  0.97931500  0.36094100  0.75000000  1.0
  Si  Si11  1  0.02068500  0.63905900  0.25000000  1.0
  Si  Si12  1  0.38162600  0.02068500  0.75000000  1.0
  Si  Si13  1  0.61837400  0.97931500  0.25000000  1.0
  Si  Si14  1  0.63905900  0.61837400  0.75000000  1.0
  Si  Si15  1  0.36094100  0.38162600  0.25000000  1.0
  Se  Se16  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se17  1  0.00000000  0.00000000  0.50000000  1.0
  O  O18  1  0.90116200  0.24678500  0.93082800  1.0
  O  O19  1  0.09883800  0.75321500  0.06917200  1.0
  O  O20  1  0.34562200  0.09883800  0.93082800  1.0
  O  O21  1  0.09883800  0.75321500  0.43082800  1.0
  O  O22  1  0.65437800  0.90116200  0.06917200  1.0
  O  O23  1  0.90116200  0.24678500  0.56917200  1.0
  O  O24  1  0.75321500  0.65437800  0.93082800  1.0
  O  O25  1  0.65437800  0.90116200  0.43082800  1.0
  O  O26  1  0.24678500  0.34562200  0.06917200  1.0
  O  O27  1  0.34562200  0.09883800  0.56917200  1.0
  O  O28  1  0.24678500  0.34562200  0.43082800  1.0
  O  O29  1  0.75321500  0.65437800  0.56917200  1.0
  O  O30  1  0.91908000  0.48627200  0.75000000  1.0
  O  O31  1  0.08092000  0.51372800  0.25000000  1.0
  O  O32  1  0.56719300  0.08092000  0.75000000  1.0
  O  O33  1  0.43280700  0.91908000  0.25000000  1.0
  O  O34  1  0.51372800  0.43280700  0.75000000  1.0
  O  O35  1  0.48627200  0.56719300  0.25000000  1.0
  O  O36  1  0.55475300  0.72044000  0.75000000  1.0
  O  O37  1  0.44524700  0.27956000  0.25000000  1.0
  O  O38  1  0.16568700  0.44524700  0.75000000  1.0
  O  O39  1  0.83431300  0.55475300  0.25000000  1.0
  O  O40  1  0.27956000  0.83431300  0.75000000  1.0
  O  O41  1  0.72044000  0.16568700  0.25000000  1.0