data_Mg(BC)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   7.21
_cell_length_c   2.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(BC)2
_chemical_formula_sum   'Mg2 B4 C4'
_cell_volume   92.35
_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  Mg8  1  0.0  0.0  0.0  1.0
  Mg  Mg9  1  0.31  0.6  0.39  1.0
  B  B0  1  0.78  0.55  0.0  1.0
  B  B1  1  0.85  0.65  0.0  1.0
  B  B2  1  0.53  0.95  0.39  1.0
  B  B3  1  0.09  0.26  0.39  1.0
  C  C4  1  0.31  0.02  0.0  1.0
  C  C5  1  0.31  0.19  0.0  1.0
  C  C6  1  1.0  0.62  0.39  1.0
  C  C7  1  0.62  0.59  0.39  1.0

data_Mg(BC)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.62
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(BC)2
_chemical_formula_sum   'Mg2 B4 C4'
_cell_volume   92.35
_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  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.39  0.31  0.6  1.0
  B  B2  1  -0.0  0.85  0.65  1.0
  B  B3  1  -0.0  0.78  0.55  1.0
  B  B4  1  0.39  0.09  0.26  1.0
  B  B5  1  0.39  0.53  0.95  1.0
  C  C6  1  -0.0  0.31  0.19  1.0
  C  C7  1  -0.0  0.31  0.02  1.0
  C  C8  1  0.39  0.62  0.59  1.0
  C  C9  1  0.39  1.0  0.62  1.0

Mg Mg B B B B C C C C