data_RbAlF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbAlF4
_chemical_formula_sum   'Rb2 Al2 F8'
_cell_volume   157.05
_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
  Rb  Rb10  1  0.53  0.0  0.08  1.0
  Rb  Rb11  1  0.0  0.53  0.08  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.53  0.53  0.0  1.0
  F  F2  1  0.56  0.97  0.0  1.0
  F  F3  1  0.08  0.56  0.0  1.0
  F  F4  1  0.97  0.49  0.0  1.0
  F  F5  1  0.49  0.08  0.0  1.0
  F  F6  1  0.0  0.0  0.77  1.0
  F  F7  1  0.53  0.53  0.77  1.0
  F  F8  1  0.0  0.0  0.39  1.0
  F  F9  1  0.53  0.53  0.39  1.0

data_RbAlF4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbAlF4
_chemical_formula_sum   'Rb2 Al2 F8'
_cell_volume   157.05
_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
  Rb  Rb0  1  0.0  0.53  0.08  1.0
  Rb  Rb1  1  0.53  0.0  0.08  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Al  Al3  1  0.53  0.53  0.0  1.0
  F  F4  1  0.0  0.0  0.39  1.0
  F  F5  1  0.0  0.0  0.77  1.0
  F  F6  1  0.08  0.56  0.0  1.0
  F  F7  1  0.49  0.08  0.0  1.0
  F  F8  1  0.53  0.53  0.39  1.0
  F  F9  1  0.53  0.53  0.77  1.0
  F  F10  1  0.56  0.97  0.0  1.0
  F  F11  1  0.97  0.49  0.0  1.0

Rb Rb Al Al F F F F F F F F