data_BaY2F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   4.33
_cell_angle_alpha   95.21
_cell_angle_beta   95.21
_cell_angle_gamma   112.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaY2F8
_chemical_formula_sum   'Ba1 Y2 F8'
_cell_volume   161.15
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  Y  Y1  1  0.18  0.85  0.14  1.0
  Y  Y2  1  0.18  0.15  0.14  1.0
  F  F3  1  0.44  0.48  0.86  1.0
  F  F4  1  0.44  0.52  0.86  1.0
  F  F5  1  0.76  0.0  0.31  1.0
  F  F6  1  0.54  0.42  0.0  1.0
  F  F7  1  0.54  0.58  0.0  1.0
  F  F8  1  0.61  0.0  0.96  1.0
  F  F9  1  0.93  0.48  0.41  1.0
  F  F10  1  0.93  0.52  0.41  1.0

data_BaY2F8
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   6.39
_cell_length_c   6.39
_cell_angle_alpha   112.75
_cell_angle_beta   95.21
_cell_angle_gamma   95.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaY2F8
_chemical_formula_sum   'Ba1 Y2 F8'
_cell_volume   161.15
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  Y  Y1  1  0.14  0.18  0.85  1.0
  Y  Y2  1  0.14  0.18  0.15  1.0
  F  F3  1  -0.0  0.54  0.42  1.0
  F  F4  1  -0.0  0.54  0.58  1.0
  F  F5  1  0.31  0.76  0.0  1.0
  F  F6  1  0.41  0.93  0.48  1.0
  F  F7  1  0.41  0.93  0.52  1.0
  F  F8  1  0.86  0.44  0.52  1.0
  F  F9  1  0.86  0.44  0.48  1.0
  F  F10  1  0.96  0.61  0.0  1.0

Ba Y Y F F F F F F F F