# generated using pymatgen
data_MgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49618174
_cell_length_b   5.49618174
_cell_length_c   5.75435339
_cell_angle_alpha   88.16899425
_cell_angle_beta   88.16899425
_cell_angle_gamma   62.66534501
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSb
_chemical_formula_sum   'Mg3 Sb3'
_cell_volume   154.30986357
_cell_formula_units_Z   3
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  0.34374100  0.65625900  0.00000000  1.0
  Mg  Mg1  1  0.82450100  0.82198000  0.51715500  1.0
  Mg  Mg2  1  0.17802000  0.17549900  0.48284500  1.0
  Sb  Sb3  1  0.02077300  0.30144100  0.98796900  1.0
  Sb  Sb4  1  0.69855900  0.97922700  0.01203100  1.0
  Sb  Sb5  1  0.43440500  0.56559500  0.50000000  1.0