# generated using pymatgen
data_BaCaSnF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.79982700
_cell_length_b   5.91530700
_cell_length_c   9.95213221
_cell_angle_alpha   88.32958365
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCaSnF7
_chemical_formula_sum   'Ba4 Ca4 Sn4 F28'
_cell_volume   635.51474255
_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
  Ba  Ba0  1  0.32012200  0.73159100  0.50241400  1.0
  Ba  Ba1  1  0.82012200  0.26840900  0.99758600  1.0
  Ba  Ba2  1  0.67987800  0.26840900  0.49758600  1.0
  Ba  Ba3  1  0.17987800  0.73159100  0.00241400  1.0
  Ca  Ca4  1  0.41545200  0.28752200  0.81837400  1.0
  Ca  Ca5  1  0.91545200  0.71247800  0.68162600  1.0
  Ca  Ca6  1  0.08454800  0.28752200  0.31837400  1.0
  Ca  Ca7  1  0.58454800  0.71247800  0.18162600  1.0
  Sn  Sn8  1  0.60774000  0.78069700  0.79317900  1.0
  Sn  Sn9  1  0.39226000  0.21930300  0.20682100  1.0
  Sn  Sn10  1  0.89226000  0.78069700  0.29317900  1.0
  Sn  Sn11  1  0.10774000  0.21930300  0.70682100  1.0
  F  F12  1  0.41579200  0.90663100  0.10653300  1.0
  F  F13  1  0.05132700  0.64500100  0.39891100  1.0
  F  F14  1  0.74108900  0.49330400  0.74899100  1.0
  F  F15  1  0.25891100  0.50669600  0.25100900  1.0
  F  F16  1  0.49273900  0.00864500  0.35733700  1.0
  F  F17  1  0.79263900  0.71767600  0.48486800  1.0
  F  F18  1  0.77004300  0.98051700  0.72622700  1.0
  F  F19  1  0.99273900  0.99135500  0.14266300  1.0
  F  F20  1  0.44867300  0.64500100  0.89891100  1.0
  F  F21  1  0.24108900  0.50669600  0.75100900  1.0
  F  F22  1  0.08420800  0.90663100  0.60653300  1.0
  F  F23  1  0.58420800  0.09336900  0.89346700  1.0
  F  F24  1  0.27004300  0.01948300  0.77377300  1.0
  F  F25  1  0.99638400  0.51365200  0.85899100  1.0
  F  F26  1  0.50726100  0.99135500  0.64266300  1.0
  F  F27  1  0.00726100  0.00864500  0.85733700  1.0
  F  F28  1  0.22995700  0.01948300  0.27377300  1.0
  F  F29  1  0.91579200  0.09336900  0.39346700  1.0
  F  F30  1  0.49638400  0.48634800  0.64100900  1.0
  F  F31  1  0.94867300  0.35499900  0.60108900  1.0
  F  F32  1  0.00361600  0.48634800  0.14100900  1.0
  F  F33  1  0.72995700  0.98051700  0.22622700  1.0
  F  F34  1  0.50361600  0.51365200  0.35899100  1.0
  F  F35  1  0.29263900  0.28232400  0.01513200  1.0
  F  F36  1  0.20736100  0.28232400  0.51513200  1.0
  F  F37  1  0.70736100  0.71767600  0.98486800  1.0
  F  F38  1  0.55132700  0.35499900  0.10108900  1.0
  F  F39  1  0.75891100  0.49330400  0.24899100  1.0