# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18245959
_cell_length_b   5.17225123
_cell_length_c   49.34819158
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg16
_cell_volume   812.294945529
_cell_formula_units_Z   16
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  Mg1  1  0.500276  0.751177  0.317597  1
  Mg  Mg2  1  1.000276  0.251177  0.300716  1
  Mg  Mg3  1  1.000276  0.751177  0.372318  1
  Mg  Mg4  1  0.500276  0.251177  0.354429  1
  Mg  Mg5  1  0.500276  0.751177  0.428262  1
  Mg  Mg6  1  1.000276  0.251177  0.409868  1
  Mg  Mg7  1  1.000276  0.751177  0.484224  1
  Mg  Mg8  1  0.500276  0.251177  0.465714  1
  Mg  Mg9  1  0.500276  0.751177  0.540138  1
  Mg  Mg10  1  1.000276  0.251177  0.521628  1
  Mg  Mg11  1  1.000276  0.751177  0.595984  1
  Mg  Mg12  1  0.500276  0.251177  0.577590  1
  Mg  Mg13  1  0.500276  0.751177  0.651423  1
  Mg  Mg14  1  1.000276  0.251177  0.633534  1
  Mg  Mg15  1  1.000276  0.751177  0.705136  1
  Mg  Mg16  1  0.500276  0.251177  0.688255  1
