# generated using pymatgen
data_Mg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31323639
_cell_length_b   3.31323639
_cell_length_c   15.56094800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000787
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Sb
_chemical_formula_sum   'Mg4 Sb2'
_cell_volume   147.93519044
_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  0.00000000  0.50000000  1.0
  Mg  Mg1  1  0.66666700  0.33333300  0.33578900  1.0
  Mg  Mg2  1  0.66666700  0.33333300  0.00000000  1.0
  Mg  Mg3  1  0.66666700  0.33333300  0.66421100  1.0
  Sb  Sb4  1  0.00000000  0.00000000  0.16649100  1.0
  Sb  Sb5  1  0.00000000  0.00000000  0.83350900  1.0