# generated using pymatgen
data_LiMg6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61068082
_cell_length_b   6.61068082
_cell_length_c   3.55947400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.56735527
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg6C
_chemical_formula_sum   'Li1 Mg6 C1'
_cell_volume   153.38933051
_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
  Li  Li0  1  0.85506900  0.14493100  0.00000000  1
  Mg  Mg1  1  0.78806100  0.53793800  0.00000000  1
  Mg  Mg2  1  0.46206200  0.21193900  0.00000000  1
  Mg  Mg3  1  0.34318500  0.65681500  0.00000000  1
  Mg  Mg4  1  0.63161500  0.91685700  0.50000000  1
  Mg  Mg5  1  0.08314300  0.36838500  0.50000000  1
  Mg  Mg6  1  0.10855600  0.89144400  0.50000000  1
  C  C7  1  0.72830800  0.27169200  0.50000000  1
