data_SrLaMnO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   13.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLaMnO4F
_chemical_formula_sum   'Sr2 La2 Mn2 O8 F2'
_cell_volume   204.2
_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  0.91  0.66  1.0
  Sr  Sr1  1  0.91  0.0  0.33  1.0
  La  La2  1  0.0  0.91  0.73  1.0
  La  La3  1  0.91  0.0  0.26  1.0
  Mn  Mn4  1  0.91  0.0  0.88  1.0
  Mn  Mn5  1  0.0  0.91  0.11  1.0
  O  O6  1  0.91  0.0  0.85  1.0
  O  O7  1  0.0  0.91  0.14  1.0
  O  O8  1  0.0  0.0  0.79  1.0
  O  O9  1  0.91  0.91  0.79  1.0
  O  O10  1  0.91  0.91  0.2  1.0
  O  O11  1  0.0  0.0  0.2  1.0
  O  O12  1  0.91  0.0  0.0  1.0
  O  O13  1  0.0  0.91  0.99  1.0
  F  F14  1  0.0  0.0  0.0  1.0
  F  F15  1  0.91  0.91  0.0  1.0

data_SrLaMnO4F
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   13.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrLaMnO4F
_chemical_formula_sum   'Sr4 La4 Mn4 O16 F4'
_cell_volume   408.4
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+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  0.0  0.66  1.0
  Sr  Sr1  2  0.41  0.5  0.33  1.0
  La  La2  2  0.0  0.0  0.73  1.0
  La  La3  2  0.41  0.5  0.26  1.0
  Mn  Mn4  2  0.0  0.0  0.11  1.0
  Mn  Mn5  2  0.41  0.5  0.88  1.0
  O  O6  4  0.46  0.46  0.79  1.0
  O  O7  4  0.46  0.46  0.2  1.0
  O  O8  2  0.0  0.0  0.14  1.0
  O  O9  2  0.0  0.0  0.99  1.0
  O  O10  2  0.41  0.5  0.0  1.0
  O  O11  2  0.41  0.5  0.85  1.0
  F  F12  4  0.46  0.46  0.0  1.0

Sr Sr La La Mn Mn O O O O O O O O F F
Sr Sr La La Mn Mn O O O O O O O O F F 0 2 o o o 1 3 o o o 2 9 - o o 2 8 o + o 3 10 o - o 3 11 + o o 4 6 o o o 5 7 o o o 8 9 - - o 10 11 + + o 12 15 o - o 12 14 + o o 13 15 - o + 13 14 o + + 