# generated using pymatgen
data_Li3Ca2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16680885
_cell_length_b   6.16680871
_cell_length_c   10.19971014
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001120
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ca2Mg
_chemical_formula_sum   'Li6 Ca4 Mg2'
_cell_volume   335.92271881
_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  0.83440193  0.16559807  0.25000000  1.0
  Li  Li1  1  0.83440193  0.66880386  0.25000000  1.0
  Li  Li2  1  0.33119614  0.16559807  0.25000000  1.0
  Li  Li3  1  0.16559807  0.83440193  0.75000000  1.0
  Li  Li4  1  0.16559807  0.33119614  0.75000000  1.0
  Li  Li5  1  0.66880386  0.83440193  0.75000000  1.0
  Ca  Ca6  1  0.33333300  0.66666700  0.43983111  1.0
  Ca  Ca7  1  0.66666700  0.33333300  0.56016889  1.0
  Ca  Ca8  1  0.66666700  0.33333300  0.93983111  1.0
  Ca  Ca9  1  0.33333300  0.66666700  0.06016889  1.0
  Mg  Mg10  1  0.00000000  0.00000000  0.50000000  1.0
  Mg  Mg11  1  0.00000000  0.00000000  0.00000000  1.0