# generated using pymatgen
data_LiMg6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41681834
_cell_length_b   6.70284628
_cell_length_c   10.68705956
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg6C
_chemical_formula_sum   'Li2 Mg12 C2'
_cell_volume   316.39311684
_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
  Li  Li0  1  0.50000000  0.00000000  0.84203745  1
  Li  Li1  1  0.50000000  0.50000000  0.34203745  1
  Mg  Mg2  1  0.50000000  0.26083742  0.61456221  1
  Mg  Mg3  1  0.50000000  0.73916258  0.61456221  1
  Mg  Mg4  1  0.00000000  0.23639623  0.40982457  1
  Mg  Mg5  1  -0.00000000  0.76360377  0.40982457  1
  Mg  Mg6  1  -0.00000000  0.00000000  0.66454987  1
  Mg  Mg7  1  0.00000000  0.00000000  0.18135010  1
  Mg  Mg8  1  0.50000000  0.76083742  0.11456221  1
  Mg  Mg9  1  0.50000000  0.23916258  0.11456221  1
  Mg  Mg10  1  0.00000000  0.73639623  0.90982457  1
  Mg  Mg11  1  -0.00000000  0.26360377  0.90982457  1
  Mg  Mg12  1  -0.00000000  0.50000000  0.16454987  1
  Mg  Mg13  1  0.00000000  0.50000000  0.68135010  1
  C  C14  1  0.50000000  0.00000000  0.26329302  1
  C  C15  1  0.50000000  0.50000000  0.76329302  1
