data_SrMgF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57
_cell_length_b   7.57
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   149.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMgF4
_chemical_formula_sum   'Sr2 Mg2 F8'
_cell_volume   165.87
_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  1.0  0.3  0.25  1.0
  Sr  Sr1  1  1.0  0.7  0.1  1.0
  Mg  Mg2  1  1.0  0.93  0.39  1.0
  Mg  Mg3  1  1.0  0.07  0.54  1.0
  F  F4  1  1.0  0.06  0.76  1.0
  F  F5  1  1.0  0.94  0.61  1.0
  F  F6  1  1.0  0.8  0.45  1.0
  F  F7  1  1.0  0.2  0.29  1.0
  F  F8  1  1.0  0.65  0.49  1.0
  F  F9  1  1.0  0.35  0.64  1.0
  F  F10  1  1.0  0.23  0.49  1.0
  F  F11  1  1.0  0.77  0.64  1.0

data_SrMgF4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   5.69
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   105.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMgF4
_chemical_formula_sum   'Sr2 Mg2 F8'
_cell_volume   165.87
_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  0.3  0.75  0.3  1.0
  Sr  Sr1  1  0.7  0.9  0.7  1.0
  Mg  Mg2  1  0.07  0.46  0.07  1.0
  Mg  Mg3  1  0.93  0.61  0.93  1.0
  F  F4  1  0.06  0.24  0.06  1.0
  F  F5  1  0.2  0.71  0.2  1.0
  F  F6  1  0.23  0.51  0.23  1.0
  F  F7  1  0.35  0.36  0.36  1.0
  F  F8  1  0.65  0.51  0.65  1.0
  F  F9  1  0.77  0.36  0.78  1.0
  F  F10  1  0.8  0.55  0.81  1.0
  F  F11  1  0.94  0.39  0.94  1.0

Sr Sr Mg Mg F F F F F F F F
Sr Sr Mg Mg F F F F F F F F 0 7 o o o 1 11 o o - 1 6 o o o 1 2 o o o 1 8 o o o 2 5 o o o 2 6 o o o 3 10 o o o 3 4 o o o 3 5 o - o 4 5 o - o 5 11 o o o 6 11 o o o 6 8 o o o 7 10 o o o 8 11 o o o 9 10 o o o 