# generated using pymatgen
data_MgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.09271173
_cell_length_b   9.09271173
_cell_length_c   5.16879500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   159.57681617
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSb
_chemical_formula_sum   'Mg3 Sb3'
_cell_volume   149.12173332
_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  0.00118000  0.99882000  0.00000000  1.0
  Mg  Mg1  1  0.66443100  0.33556900  0.00000000  1.0
  Mg  Mg2  1  0.78232300  0.21767700  0.50000000  1.0
  Sb  Sb3  1  0.31292700  0.68707300  0.00000000  1.0
  Sb  Sb4  1  0.12732700  0.87267300  0.50000000  1.0
  Sb  Sb5  1  0.44514600  0.55485400  0.50000000  1.0