data_RbMg6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   6.77
_cell_length_c   6.77
_cell_angle_alpha   59.71
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg6Fe
_chemical_formula_sum   'Rb1 Mg6 Fe1'
_cell_volume   199.32
_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
  Rb  Rb0  1  0.52  0.0  0.87  1.0
  Mg  Mg1  1  0.0  0.12  0.65  1.0
  Mg  Mg2  1  0.0  0.88  0.65  1.0
  Mg  Mg3  1  0.0  0.0  0.92  1.0
  Mg  Mg4  1  0.52  0.17  0.85  1.0
  Mg  Mg5  1  0.52  0.83  0.85  1.0
  Mg  Mg6  1  0.52  0.0  0.95  1.0
  Fe  Fe7  1  0.0  0.0  0.24  1.0

data_RbMg6Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.03
_cell_length_b   6.74
_cell_length_c   6.77
_cell_angle_alpha   119.85
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg6Fe
_chemical_formula_sum   'Rb1 Mg6 Fe1'
_cell_volume   199.32
_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
  Rb  Rb0  1  0.48  0.87  0.87  1.0
  Mg  Mg1  1  -0.0  0.65  0.53  1.0
  Mg  Mg2  1  0.0  0.92  0.92  1.0
  Mg  Mg3  1  0.0  0.65  0.77  1.0
  Mg  Mg4  1  0.48  0.85  0.02  1.0
  Mg  Mg5  1  0.48  0.85  0.68  1.0
  Mg  Mg6  1  0.48  0.95  0.95  1.0
  Fe  Fe7  1  0.0  0.24  0.24  1.0

Rb Mg Mg Mg Mg Mg Mg Fe