# generated using pymatgen
data_Mg14CuB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21930327
_cell_length_b   6.27327072
_cell_length_c   9.98555831
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.28746915
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14CuB
_chemical_formula_sum   'Mg14 Cu1 B1'
_cell_volume   336.41349722
_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  0.17544065  0.33771983  0.62500000  1.0
  Mg  Mg1  1  0.17351108  0.83675504  0.62500000  1.0
  Mg  Mg2  1  0.75511678  0.38312946  0.12500000  1.0
  Mg  Mg3  1  0.66125620  0.33241060  0.62500000  1.0
  Mg  Mg4  1  0.75511678  0.87198632  0.12500000  1.0
  Mg  Mg5  1  0.66125620  0.82884460  0.62500000  1.0
  Mg  Mg6  1  0.31031094  0.14458302  0.31782654  1.0
  Mg  Mg7  1  0.31031094  0.14458302  0.93217346  1.0
  Mg  Mg8  1  0.31031094  0.66572893  0.31782654  1.0
  Mg  Mg9  1  0.31031094  0.66572893  0.93217346  1.0
  Mg  Mg10  1  0.82908615  0.16454358  0.37719700  1.0
  Mg  Mg11  1  0.82908615  0.16454358  0.87280300  1.0
  Mg  Mg12  1  0.82632569  0.66316334  0.37360351  1.0
  Mg  Mg13  1  0.82632569  0.66316334  0.87639649  1.0
  Cu  Cu14  1  0.14620489  0.32310194  0.12500000  1.0
  B  B15  1  0.12002997  0.81001449  0.12500000  1.0