# generated using pymatgen
data_CaMg14B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48652322
_cell_length_b   6.14957737
_cell_length_c   10.29354768
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.29603782
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg14B
_chemical_formula_sum   'Ca1 Mg14 B1'
_cell_volume   361.54027758
_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
  Ca  Ca0  1  0.12843291  0.31421595  0.12500000  1.0
  Mg  Mg1  1  0.16903335  0.33451618  0.62500000  1.0
  Mg  Mg2  1  0.15860127  0.82930014  0.62500000  1.0
  Mg  Mg3  1  0.61579484  0.29605945  0.12500000  1.0
  Mg  Mg4  1  0.66257079  0.33612808  0.62500000  1.0
  Mg  Mg5  1  0.61579484  0.81973439  0.12500000  1.0
  Mg  Mg6  1  0.66257079  0.82644172  0.62500000  1.0
  Mg  Mg7  1  0.33645576  0.16308378  0.37411898  1.0
  Mg  Mg8  1  0.33645576  0.16308378  0.87588102  1.0
  Mg  Mg9  1  0.33645576  0.67337299  0.37411898  1.0
  Mg  Mg10  1  0.33645576  0.67337299  0.87588102  1.0
  Mg  Mg11  1  0.82988622  0.16494361  0.38786164  1.0
  Mg  Mg12  1  0.82988622  0.16494361  0.86213836  1.0
  Mg  Mg13  1  0.85718671  0.67859386  0.34554210  1.0
  Mg  Mg14  1  0.85718671  0.67859386  0.90445790  1.0
  B  B15  1  0.26723227  0.88361564  0.12500000  1.0