# generated using pymatgen
data_Mg14FeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15647977
_cell_length_b   6.39605216
_cell_length_c   9.81904139
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   121.29583567
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14FeB
_chemical_formula_sum   'Mg14 Fe1 B1'
_cell_volume   330.38770477
_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  0.18137627  0.34068764  0.62500000  1.0
  Mg  Mg1  1  0.17165988  0.83582944  0.62500000  1.0
  Mg  Mg2  1  0.75015105  0.38057680  0.12500000  1.0
  Mg  Mg3  1  0.66327721  0.32909343  0.62500000  1.0
  Mg  Mg4  1  0.75015105  0.86957325  0.12500000  1.0
  Mg  Mg5  1  0.66327721  0.83418278  0.62500000  1.0
  Mg  Mg6  1  0.30629226  0.13765993  0.32467974  1.0
  Mg  Mg7  1  0.30629226  0.13765993  0.92532026  1.0
  Mg  Mg8  1  0.30629226  0.66863333  0.32467974  1.0
  Mg  Mg9  1  0.30629226  0.66863333  0.92532026  1.0
  Mg  Mg10  1  0.83666279  0.16833189  0.37360113  1.0
  Mg  Mg11  1  0.83666279  0.16833189  0.87639887  1.0
  Mg  Mg12  1  0.81217588  0.65608844  0.37485368  1.0
  Mg  Mg13  1  0.81217588  0.65608844  0.87514632  1.0
  Fe  Fe14  1  0.17874080  0.33936990  0.12500000  1.0
  B  B15  1  0.11852016  0.80925958  0.12500000  1.0