# generated using pymatgen
data_Mg14TiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23016985
_cell_length_b   6.23016938
_cell_length_c   9.97742688
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000257
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14TiB
_chemical_formula_sum   'Mg14 Ti1 B1'
_cell_volume   335.38907728
_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
  Mg  Mg0  1  0.17360180  0.83680040  0.12500000  1.0
  Mg  Mg1  1  0.16307522  0.83153711  0.62500000  1.0
  Mg  Mg2  1  0.66319960  0.32639820  0.12500000  1.0
  Mg  Mg3  1  0.66846289  0.33692478  0.62500000  1.0
  Mg  Mg4  1  0.66319960  0.83680040  0.12500000  1.0
  Mg  Mg5  1  0.66846289  0.83153711  0.62500000  1.0
  Mg  Mg6  1  0.32505608  0.17494392  0.38357804  1.0
  Mg  Mg7  1  0.32505608  0.17494392  0.86642196  1.0
  Mg  Mg8  1  0.32505608  0.65011316  0.38357804  1.0
  Mg  Mg9  1  0.32505608  0.65011316  0.86642196  1.0
  Mg  Mg10  1  0.84988684  0.17494392  0.38357804  1.0
  Mg  Mg11  1  0.84988684  0.17494392  0.86642196  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.36929211  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.88070789  1.0
  Ti  Ti14  1  0.16666700  0.33333300  0.12500000  1.0
  B  B15  1  0.16666700  0.33333300  0.62500000  1.0