data_Rb3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3Mg
_chemical_formula_sum   'Rb3 Mg1'
_cell_volume   260.86
_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  Rb1  1  0.0  0.22  0.15  1.0
  Rb  Rb2  1  0.22  0.0  0.15  1.0
  Rb  Rb3  1  0.22  0.22  0.0  1.0
  Mg  Mg0  1  0.0  0.0  0.0  1.0

data_Rb3Mg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   9.1
_cell_length_b   9.1
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Rb3Mg
_chemical_formula_sum   'Rb6 Mg2'
_cell_volume   521.73
_cell_formula_units_Z   2
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
  Rb  Rb0  4  0.11  0.11  0.15  1.0
  Rb  Rb1  2  0.22  0.0  0.0  1.0
  Mg  Mg2  2  0.0  0.0  0.0  1.0

Rb Rb Rb Mg
Rb Rb Rb Mg 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 