data_Mg2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.24
_cell_length_b   5.36
_cell_length_c   8.65
_cell_angle_alpha   56.53
_cell_angle_beta   38.15
_cell_angle_gamma   85.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2C3
_chemical_formula_sum   'Mg4 C6'
_cell_volume   126.33
_cell_formula_units_Z   2
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  Mg6  1  0.64  0.16  0.62  1.0
  Mg  Mg7  1  0.48  0.88  0.62  1.0
  Mg  Mg8  1  0.95  0.65  0.51  1.0
  Mg  Mg9  1  0.17  0.39  0.51  1.0
  C  C0  1  0.69  0.15  0.69  1.0
  C  C1  1  0.36  0.86  0.69  1.0
  C  C2  1  0.95  0.66  0.58  1.0
  C  C3  1  0.16  0.37  0.58  1.0
  C  C4  1  0.53  0.51  0.71  1.0
  C  C5  1  0.06  0.02  0.38  1.0

data_Mg2C3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   5.36
_cell_length_c   7.24
_cell_angle_alpha   85.32
_cell_angle_beta   75.78
_cell_angle_gamma   70.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2C3
_chemical_formula_sum   'Mg4 C6'
_cell_volume   126.33
_cell_formula_units_Z   2
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  0.12  0.5  0.9  1.0
  Mg  Mg1  1  0.35  0.16  0.54  1.0
  Mg  Mg2  1  0.61  0.9  0.32  1.0
  Mg  Mg3  1  0.84  0.78  0.74  1.0
  C  C4  1  0.14  0.55  0.95  1.0
  C  C5  1  0.34  0.24  0.47  1.0
  C  C6  1  0.49  0.22  0.76  1.0
  C  C7  1  0.63  0.95  0.26  1.0
  C  C8  1  0.85  0.84  0.62  1.0
  C  C9  1  0.98  0.4  0.56  1.0

Mg Mg Mg Mg C C C C C C