data_RbMg6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   8.43
_cell_length_c   8.43
_cell_angle_alpha   58.56
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg6C
_chemical_formula_sum   'Rb1 Mg6 C1'
_cell_volume   201.88
_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  0.67  0.0  0.38  1.0
  Mg  Mg1  1  0.67  0.6  0.21  1.0
  Mg  Mg2  1  0.67  0.4  0.21  1.0
  Mg  Mg3  1  0.67  0.0  0.29  1.0
  Mg  Mg4  1  0.0  0.62  0.83  1.0
  Mg  Mg5  1  0.0  0.38  0.83  1.0
  Mg  Mg6  1  0.0  0.0  0.36  1.0
  C  C7  1  0.0  0.0  0.71  1.0

data_RbMg6C
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   8.24
_cell_length_c   8.43
_cell_angle_alpha   119.28
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg6C
_chemical_formula_sum   'Rb1 Mg6 C1'
_cell_volume   201.88
_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  0.33  0.38  0.38  1.0
  Mg  Mg1  1  -0.0  0.83  0.21  1.0
  Mg  Mg2  1  0.0  0.36  0.36  1.0
  Mg  Mg3  1  0.0  0.83  0.45  1.0
  Mg  Mg4  1  0.33  0.21  0.81  1.0
  Mg  Mg5  1  0.33  0.21  0.6  1.0
  Mg  Mg6  1  0.33  0.29  0.29  1.0
  C  C7  1  0.0  0.71  0.71  1.0

Rb Mg Mg Mg Mg Mg Mg C