# generated using pymatgen
data_Mg14TiBO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.57213495
_cell_length_b   8.57213495
_cell_length_c   4.24637705
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14TiBO16
_chemical_formula_sum   'Mg14 Ti1 B1 O16'
_cell_volume   312.03014501
_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  0.00000000  0.50000000  -0.00000000  1.0
  Mg  Mg1  1  0.50000000  0.00000000  -0.00000000  1.0
  Mg  Mg2  1  0.00000000  0.25447631  0.50000000  1.0
  Mg  Mg3  1  0.00000000  0.74552369  0.50000000  1.0
  Mg  Mg4  1  0.50000000  0.25434483  0.50000000  1.0
  Mg  Mg5  1  0.50000000  0.74565517  0.50000000  1.0
  Mg  Mg6  1  0.25447631  0.00000000  0.50000000  1.0
  Mg  Mg7  1  0.25434483  0.50000000  0.50000000  1.0
  Mg  Mg8  1  0.74552369  0.00000000  0.50000000  1.0
  Mg  Mg9  1  0.74565517  0.50000000  0.50000000  1.0
  Mg  Mg10  1  0.25670425  0.25670425  -0.00000000  1.0
  Mg  Mg11  1  0.25670425  0.74329575  0.00000000  1.0
  Mg  Mg12  1  0.74329575  0.25670425  -0.00000000  1.0
  Mg  Mg13  1  0.74329575  0.74329575  0.00000000  1.0
  Ti  Ti14  1  0.00000000  0.00000000  -0.00000000  1.0
  B  B15  1  0.50000000  0.50000000  -0.00000000  1.0
  O  O16  1  0.24527718  0.00000000  -0.00000000  1.0
  O  O17  1  0.23645817  0.50000000  -0.00000000  1.0
  O  O18  1  0.75472282  0.00000000  0.00000000  1.0
  O  O19  1  0.76354183  0.50000000  0.00000000  1.0
  O  O20  1  0.24955313  0.24955313  0.50000000  1.0
  O  O21  1  0.24955313  0.75044687  0.50000000  1.0
  O  O22  1  0.75044687  0.24955313  0.50000000  1.0
  O  O23  1  0.75044687  0.75044687  0.50000000  1.0
  O  O24  1  0.00000000  0.00000000  0.50000000  1.0
  O  O25  1  0.00000000  0.50000000  0.50000000  1.0
  O  O26  1  0.50000000  0.00000000  0.50000000  1.0
  O  O27  1  0.50000000  0.50000000  0.50000000  1.0
  O  O28  1  0.00000000  0.24527718  -0.00000000  1.0
  O  O29  1  0.00000000  0.75472282  0.00000000  1.0
  O  O30  1  0.50000000  0.23645817  0.00000000  1.0
  O  O31  1  0.50000000  0.76354183  -0.00000000  1.0