# generated using pymatgen
data_LiMg14B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23575958
_cell_length_b   6.31116643
_cell_length_c   10.00454365
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.40083956
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg14B
_chemical_formula_sum   'Li1 Mg14 B1'
_cell_volume   339.59284505
_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  0.17876949  0.33938425  0.12500000  1
  Mg  Mg1  1  0.17232583  0.33616242  0.62500000  1
  Mg  Mg2  1  0.16837706  0.83418803  0.62500000  1
  Mg  Mg3  1  0.72957596  0.36744404  0.12500000  1
  Mg  Mg4  1  0.65980624  0.33202012  0.62500000  1
  Mg  Mg5  1  0.72957596  0.86213093  0.12500000  1
  Mg  Mg6  1  0.65980624  0.82778512  0.62500000  1
  Mg  Mg7  1  0.31591897  0.14573073  0.34271586  1
  Mg  Mg8  1  0.31591897  0.14573073  0.90728414  1
  Mg  Mg9  1  0.31591897  0.67018924  0.34271586  1
  Mg  Mg10  1  0.31591897  0.67018924  0.90728414  1
  Mg  Mg11  1  0.82958094  0.16479097  0.37988587  1
  Mg  Mg12  1  0.82958094  0.16479097  0.87011413  1
  Mg  Mg13  1  0.82995338  0.66497719  0.36948503  1
  Mg  Mg14  1  0.82995338  0.66497719  0.88051497  1
  B  B15  1  0.11901869  0.80950884  0.12500000  1
