# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19036798
_cell_length_b   13.45418868
_cell_length_c   50.93052092
_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   Mg42
_cell_volume   2186.13214445
_cell_formula_units_Z   42
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  1.058798  0.429375  0.279615  1
  Mg  Mg2  1  1.058798  0.209929  0.259214  1
  Mg  Mg3  1  1.058798  0.838821  0.287170  1
  Mg  Mg4  1  0.558798  0.263765  0.311473  1
  Mg  Mg5  1  0.558798  0.005078  0.256045  1
  Mg  Mg6  1  0.558798  0.634598  0.283513  1
  Mg  Mg7  1  1.058798  0.320256  0.363266  1
  Mg  Mg8  1  1.058798  0.061101  0.307378  1
  Mg  Mg9  1  1.058798  0.690269  0.335293  1
  Mg  Mg10  1  0.558798  0.116064  0.359660  1
  Mg  Mg11  1  0.558798  0.894470  0.338829  1
  Mg  Mg12  1  0.558798  0.486281  0.331589  1
  Mg  Mg13  1  1.058798  0.172392  0.411935  1
  Mg  Mg14  1  1.058798  0.949986  0.391122  1
  Mg  Mg15  1  1.058798  0.542391  0.383868  1
  Mg  Mg16  1  0.558798  0.006135  0.443417  1
  Mg  Mg17  1  0.558798  0.746295  0.387465  1
  Mg  Mg18  1  0.558798  0.376245  0.415484  1
  Mg  Mg19  1  1.058798  0.062165  0.495764  1
  Mg  Mg20  1  1.058798  0.802263  0.439836  1
  Mg  Mg21  1  1.058798  0.432235  0.467762  1
  Mg  Mg22  1  0.558798  0.858385  0.492166  1
  Mg  Mg23  1  0.558798  0.598483  0.436239  1
  Mg  Mg24  1  0.558798  0.228413  0.464240  1
  Mg  Mg25  1  1.058798  0.914353  0.544537  1
  Mg  Mg26  1  1.058798  0.654513  0.488586  1
  Mg  Mg27  1  1.058798  0.284403  0.516518  1
  Mg  Mg28  1  0.558798  0.710662  0.540881  1
  Mg  Mg29  1  0.558798  0.488256  0.520068  1
  Mg  Mg30  1  0.558798  0.118257  0.548135  1
  Mg  Mg31  1  1.058798  0.766178  0.593173  1
  Mg  Mg32  1  1.058798  0.544584  0.572343  1
  Mg  Mg33  1  1.058798  0.174367  0.600413  1
  Mg  Mg34  1  0.558798  0.599547  0.624624  1
  Mg  Mg35  1  0.558798  0.340392  0.568737  1
  Mg  Mg36  1  0.558798  0.970379  0.596710  1
  Mg  Mg37  1  1.058798  0.655570  0.675958  1
  Mg  Mg38  1  1.058798  0.396883  0.620529  1
  Mg  Mg39  1  1.058798  0.026050  0.648490  1
  Mg  Mg40  1  0.558798  0.450719  0.672789  1
  Mg  Mg41  1  0.558798  0.231274  0.652387  1
  Mg  Mg42  1  0.558798  0.821827  0.644832  1
