# generated using pymatgen
data_Mg6BW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52051249
_cell_length_b   5.83593628
_cell_length_c   11.33917269
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6BW
_chemical_formula_sum   'Mg12 B2 W2'
_cell_volume   299.14350944
_cell_formula_units_Z   2
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  0.74434897  0.07189164  1.0
  Mg  Mg1  1  -0.00000000  0.25565103  0.07189164  1.0
  Mg  Mg2  1  0.00000000  0.00000000  0.32795700  1.0
  Mg  Mg3  1  0.50000000  0.26543551  0.40994956  1.0
  Mg  Mg4  1  0.50000000  0.73456449  0.40994956  1.0
  Mg  Mg5  1  0.50000000  0.00000000  0.17945592  1.0
  Mg  Mg6  1  -0.00000000  0.24434897  0.57189164  1.0
  Mg  Mg7  1  0.00000000  0.75565103  0.57189164  1.0
  Mg  Mg8  1  0.00000000  0.50000000  0.82795700  1.0
  Mg  Mg9  1  0.50000000  0.76543551  0.90994956  1.0
  Mg  Mg10  1  0.50000000  0.23456449  0.90994956  1.0
  Mg  Mg11  1  0.50000000  0.50000000  0.67945592  1.0
  B  B12  1  0.50000000  0.50000000  0.24117434  1.0
  B  B13  1  0.50000000  0.00000000  0.74117434  1.0
  W  W14  1  -0.00000000  0.50000000  0.28773035  1.0
  W  W15  1  0.00000000  0.00000000  0.78773035  1.0