data_RbMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   10.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg
_chemical_formula_sum   'Rb4 Mg4'
_cell_volume   391.39
_cell_formula_units_Z   4
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  Rb4  1  0.0  0.0  0.75  1.0
  Rb  Rb5  1  0.0  0.0  0.58  1.0
  Rb  Rb6  1  0.0  0.82  0.58  1.0
  Rb  Rb7  1  0.31  0.91  0.75  1.0
  Mg  Mg0  1  0.0  0.82  0.17  1.0
  Mg  Mg1  1  0.31  0.91  0.0  1.0
  Mg  Mg2  1  0.31  0.91  0.17  1.0
  Mg  Mg3  1  0.0  0.82  0.33  1.0

data_RbMg
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   10.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg
_chemical_formula_sum   'Rb4 Mg4'
_cell_volume   391.39
_cell_formula_units_Z   4
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  0.0  0.58  1.0
  Rb  Rb1  1  0.0  0.0  0.75  1.0
  Rb  Rb2  1  0.0  0.82  0.58  1.0
  Rb  Rb3  1  0.31  0.91  0.75  1.0
  Mg  Mg4  1  0.0  0.82  0.17  1.0
  Mg  Mg5  1  0.0  0.82  0.33  1.0
  Mg  Mg6  1  0.31  0.91  0.0  1.0
  Mg  Mg7  1  0.31  0.91  0.17  1.0

Rb Rb Rb Rb Mg Mg Mg Mg