# generated using pymatgen
data_MgB7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95848611
_cell_length_b   7.24717799
_cell_length_c   7.24717799
_cell_angle_alpha   92.13192896
_cell_angle_beta   114.27796929
_cell_angle_gamma   114.27796929
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgB7
_chemical_formula_sum   'Mg4 B28'
_cell_volume   251.90496068
_cell_formula_units_Z   4
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  0.00000000  0.00000000  1.0
  Mg  Mg1  1  0.50000000  0.00000000  0.00000000  1.0
  Mg  Mg2  1  0.13388910  0.38518331  0.38518331  1.0
  Mg  Mg3  1  0.86611090  0.61481669  0.61481669  1.0
  B  B4  1  0.88446994  0.24332942  0.02557463  1.0
  B  B5  1  0.20844597  0.37729617  0.03335994  1.0
  B  B6  1  0.70217544  0.37731135  0.03331166  1.0
  B  B7  1  0.67614625  0.75865390  0.09365967  1.0
  B  B8  1  0.52440745  0.35818880  0.19066626  1.0
  B  B9  1  0.50750015  0.59948494  0.22695406  1.0
  B  B10  1  0.81884196  0.59946866  0.22689580  1.0
  B  B11  1  0.32385375  0.90634033  0.24134610  1.0
  B  B12  1  0.88446994  0.02557463  0.24332942  1.0
  B  B13  1  0.52440745  0.19066626  0.35818880  1.0
  B  B14  1  0.20844597  0.03335994  0.37729617  1.0
  B  B15  1  0.70217544  0.03331166  0.37731135  1.0
  B  B16  1  0.18115804  0.77310420  0.40053134  1.0
  B  B17  1  0.49249985  0.77304594  0.40051506  1.0
  B  B18  1  0.50750015  0.22695406  0.59948494  1.0
  B  B19  1  0.81884196  0.22689580  0.59946866  1.0
  B  B20  1  0.29782456  0.96668834  0.62268865  1.0
  B  B21  1  0.79155403  0.96664006  0.62270383  1.0
  B  B22  1  0.47559255  0.80933374  0.64181120  1.0
  B  B23  1  0.11553006  0.97442537  0.75667058  1.0
  B  B24  1  0.67614625  0.09365967  0.75865390  1.0
  B  B25  1  0.18115804  0.40053134  0.77310420  1.0
  B  B26  1  0.49249985  0.40051506  0.77304594  1.0
  B  B27  1  0.47559255  0.64181120  0.80933374  1.0
  B  B28  1  0.32385375  0.24134610  0.90634033  1.0
  B  B29  1  0.29782456  0.62268865  0.96668834  1.0
  B  B30  1  0.79155403  0.62270383  0.96664006  1.0
  B  B31  1  0.11553006  0.75667058  0.97442537  1.0