# generated using pymatgen
data_Sm6Fe6As6O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.01738900
_cell_length_b   8.03172900
_cell_length_c   9.93058630
_cell_angle_alpha   66.22297277
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm6Fe6As6O5F
_chemical_formula_sum   'Sm12 Fe12 As12 O10 F2'
_cell_volume   877.14777357
_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
  Sm  Sm0  1  0.08266000  0.31078100  0.12814200  1.0
  Sm  Sm1  1  0.41734000  0.31078100  0.12814200  1.0
  Sm  Sm2  1  0.75000000  0.32081300  0.13183000  1.0
  Sm  Sm3  1  0.07384100  0.80744300  0.13526500  1.0
  Sm  Sm4  1  0.42615900  0.80744300  0.13526500  1.0
  Sm  Sm5  1  0.75000000  0.79513300  0.13641400  1.0
  Sm  Sm6  1  0.25000000  0.67918700  0.86817000  1.0
  Sm  Sm7  1  0.58266000  0.68921900  0.87185800  1.0
  Sm  Sm8  1  0.91734000  0.68921900  0.87185800  1.0
  Sm  Sm9  1  0.25000000  0.20486700  0.86358600  1.0
  Sm  Sm10  1  0.57384100  0.19255700  0.86473500  1.0
  Sm  Sm11  1  0.92615900  0.19255700  0.86473500  1.0
  Fe  Fe12  1  0.08300300  0.37072100  0.49982900  1.0
  Fe  Fe13  1  0.41699700  0.37072100  0.49982900  1.0
  Fe  Fe14  1  0.75000000  0.37363000  0.50383900  1.0
  Fe  Fe15  1  0.25000000  0.62637000  0.49616100  1.0
  Fe  Fe16  1  0.58300300  0.62927900  0.50017100  1.0
  Fe  Fe17  1  0.91699700  0.62927900  0.50017100  1.0
  Fe  Fe18  1  0.08300100  0.87908200  0.49793000  1.0
  Fe  Fe19  1  0.41699900  0.87908200  0.49793000  1.0
  Fe  Fe20  1  0.75000000  0.87368200  0.50314400  1.0
  Fe  Fe21  1  0.25000000  0.12631800  0.49685600  1.0
  Fe  Fe22  1  0.58300100  0.12091800  0.50207000  1.0
  Fe  Fe23  1  0.91699900  0.12091800  0.50207000  1.0
  As  As24  1  0.25000000  0.46901600  0.31376900  1.0
  As  As25  1  0.58456100  0.46588700  0.31785600  1.0
  As  As26  1  0.91543900  0.46588700  0.31785600  1.0
  As  As27  1  0.08456100  0.53411300  0.68214400  1.0
  As  As28  1  0.41543900  0.53411300  0.68214400  1.0
  As  As29  1  0.75000000  0.53098400  0.68623100  1.0
  As  As30  1  0.25000000  0.96722600  0.31301400  1.0
  As  As31  1  0.58559700  0.96979800  0.31322300  1.0
  As  As32  1  0.91440300  0.96979800  0.31322300  1.0
  As  As33  1  0.08559700  0.03020200  0.68677700  1.0
  As  As34  1  0.41440300  0.03020200  0.68677700  1.0
  As  As35  1  0.75000000  0.03277400  0.68698600  1.0
  O  O36  1  0.25000000  0.37513100  0.99913800  1.0
  O  O37  1  0.58482700  0.37150800  0.99827600  1.0
  O  O38  1  0.91517300  0.37150800  0.99827600  1.0
  O  O39  1  0.08482700  0.62849200  0.00172400  1.0
  O  O40  1  0.41517300  0.62849200  0.00172400  1.0
  O  O41  1  0.75000000  0.62486900  0.00086200  1.0
  O  O42  1  0.58698600  0.87898200  0.00169700  1.0
  O  O43  1  0.91301400  0.87898200  0.00169700  1.0
  O  O44  1  0.08698600  0.12101800  0.99830300  1.0
  O  O45  1  0.41301400  0.12101800  0.99830300  1.0
  F  F46  1  0.25000000  0.87448000  0.00092100  1.0
  F  F47  1  0.75000000  0.12552000  0.99907900  1.0