# generated using pymatgen
data_Mg6VB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92330008
_cell_length_b   6.92330008
_cell_length_c   3.32338900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.35568255
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6VB
_chemical_formula_sum   'Mg6 V1 B1'
_cell_volume   158.31789646
_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  0.79160700  0.54640200  0.00000000  1.0
  Mg  Mg1  1  0.45359800  0.20839300  0.00000000  1.0
  Mg  Mg2  1  0.33327100  0.66672900  0.00000000  1.0
  Mg  Mg3  1  0.63118100  0.88860700  0.50000000  1.0
  Mg  Mg4  1  0.11139300  0.36881900  0.50000000  1.0
  Mg  Mg5  1  0.08880000  0.91120000  0.50000000  1.0
  V  V6  1  0.85404300  0.14595700  0.00000000  1.0
  B  B7  1  0.73610900  0.26389100  0.50000000  1.0