data_MgC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   3.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgC
_chemical_formula_sum   'Mg3 C3'
_cell_volume   72.41
_cell_formula_units_Z   3
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
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Mg  Mg4  1  0.41  0.39  0.8  1.0
  Mg  Mg5  1  0.0  0.78  0.8  1.0
  C  C0  1  0.8  0.09  0.0  1.0
  C  C1  1  0.2  0.09  0.0  1.0
  C  C2  1  0.41  0.0  0.0  1.0

data_MgC
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgC
_chemical_formula_sum   'Mg3 C3'
_cell_volume   72.41
_cell_formula_units_Z   3
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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.8  0.0  0.78  1.0
  Mg  Mg2  1  0.8  0.41  0.39  1.0
  C  C3  1  0.0  0.41  0.0  1.0
  C  C4  1  0.0  0.2  0.09  1.0
  C  C5  1  0.0  0.8  0.09  1.0

Mg Mg Mg C C C