data_Rb3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67
_cell_length_b   7.67
_cell_length_c   7.67
_cell_angle_alpha   130.39
_cell_angle_beta   130.39
_cell_angle_gamma   72.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3Mg
_chemical_formula_sum   'Rb3 Mg1'
_cell_volume   255.75
_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  0.0  0.17  1.0
  Rb  Rb2  1  0.0  0.22  0.09  1.0
  Rb  Rb3  1  0.22  0.0  0.09  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   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   126.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Rb3Mg
_chemical_formula_sum   'Rb6 Mg2'
_cell_volume   511.5
_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  0.39  0.39  0.87  1.0
  Rb  Rb1  2  0.0  0.0  0.17  1.0
  Mg  Mg2  2  0.0  0.0  0.0  1.0

Rb Rb Rb Mg