data_SrSbSe2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   34.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSbSe2F
_chemical_formula_sum   'Sr2 Sb2 Se4 F2'
_cell_volume   585.31
_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
  Sr  Sr0  1  0.0  0.5  0.17  1.0
  Sr  Sr1  1  0.5  0.0  0.25  1.0
  Sb  Sb2  1  0.5  0.0  0.06  1.0
  Sb  Sb3  1  0.0  0.5  0.36  1.0
  Se  Se4  1  0.0  0.5  0.05  1.0
  Se  Se5  1  0.5  0.0  0.13  1.0
  Se  Se6  1  0.0  0.5  0.29  1.0
  Se  Se7  1  0.5  0.0  0.38  1.0
  F  F8  1  0.0  0.0  0.21  1.0
  F  F9  1  0.5  0.5  0.21  1.0

Sr Sr Sb Sb Se Se Se Se F F 0 9 - o o 0 9 o o o 0 8 o o o 0 8 o + o 0 5 o + o 0 5 o o o 0 5 - + o 0 5 - o o 1 8 o o o 1 8 + o o 1 9 o - o 1 9 o o o 1 6 + o o 1 6 + - o 1 6 o o o 1 6 o - o 2 4 o - o 2 4 o o o 2 4 + - o 2 4 + o o 2 5 o o o 3 7 - o o 3 7 - + o 3 7 o o o 3 7 o + o 3 6 o o o 5 8 o o o 5 8 + o o 5 9 o - o 5 9 o o o 6 9 - o o 6 9 o o o 6 8 o o o 6 8 o + o 8 9 - - o 8 9 - o o 8 9 o - o 8 9 o o o 
data_SrSbSe2F
_symmetry_space_group_name_H-M   P4/nmm
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   34.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   129
_chemical_formula_structural   SrSbSe2F
_chemical_formula_sum   'Sr2 Sb2 Se4 F2'
_cell_volume   585.31
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y+1/2, x+1/2, z'
  3  '-x, -y, z'
  4  'y+1/2, -x+1/2, z'
  5  'x+1/2, -y+1/2, -z'
  6  '-y, -x, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'y, x, -z'
  9  '-x+1/2, -y+1/2, -z'
  10  'y, -x, -z'
  11  'x+1/2, y+1/2, -z'
  12  '-y, x, -z'
  13  '-x, y, z'
  14  'y+1/2, x+1/2, z'
  15  'x, -y, z'
  16  '-y+1/2, -x+1/2, 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
  Sr  Sr0  2  0.0  0.5  0.96  1.0
  Sb  Sb1  2  0.0  0.5  0.15  1.0
  Se  Se2  2  0.0  0.5  0.08  1.0
  Se  Se3  2  0.0  0.5  0.84  1.0
  F  F4  2  0.0  0.0  0.0  1.0
