# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17520598
_cell_length_b   13.35204104
_cell_length_c   47.29905952
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.84491290
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg40
_cell_volume   1990.97359923
_cell_formula_units_Z   40
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  0.531409  0.059339  0.288110  1
  Mg  Mg2  1  0.249136  0.494806  0.310669  1
  Mg  Mg3  1  0.413308  0.823135  0.284573  1
  Mg  Mg4  1  0.129860  0.256066  0.306516  1
  Mg  Mg5  1  0.967208  0.930966  0.332942  1
  Mg  Mg6  1  0.684231  0.365004  0.355298  1
  Mg  Mg7  1  0.847565  0.691645  0.328776  1
  Mg  Mg8  1  0.565113  0.126687  0.351340  1
  Mg  Mg9  1  0.401672  0.799965  0.377788  1
  Mg  Mg10  1  0.119355  0.235350  0.400752  1
  Mg  Mg11  1  0.282254  0.561066  0.373984  1
  Mg  Mg12  1  0.999953  0.996477  0.396938  1
  Mg  Mg13  1  0.836840  0.670390  0.423416  1
  Mg  Mg14  1  0.554469  0.105673  0.446384  1
  Mg  Mg15  1  0.717444  0.431518  0.419618  1
  Mg  Mg16  1  0.434879  0.866428  0.442401  1
  Mg  Mg17  1  0.271988  0.540772  0.469118  1
  Mg  Mg18  1  0.989467  0.975769  0.491940  1
  Mg  Mg19  1  0.152558  0.301833  0.465296  1
  Mg  Mg20  1  0.869994  0.736750  0.488078  1
  Mg  Mg21  1  0.707097  0.411078  0.514814  1
  Mg  Mg22  1  0.424533  0.845995  0.537596  1
  Mg  Mg23  1  0.587624  0.172059  0.510952  1
  Mg  Mg24  1  0.305103  0.607056  0.533774  1
  Mg  Mg25  1  0.142212  0.281400  0.560491  1
  Mg  Mg26  1  0.859647  0.716310  0.583274  1
  Mg  Mg27  1  0.022622  0.042155  0.556509  1
  Mg  Mg28  1  0.740251  0.477439  0.579476  1
  Mg  Mg29  1  0.577138  0.151351  0.605954  1
  Mg  Mg30  1  0.294837  0.586762  0.628908  1
  Mg  Mg31  1  0.457736  0.912478  0.602140  1
  Mg  Mg32  1  0.175419  0.347863  0.625104  1
  Mg  Mg33  1  0.011978  0.021141  0.651552  1
  Mg  Mg34  1  0.729526  0.456183  0.674116  1
  Mg  Mg35  1  0.892860  0.782824  0.647594  1
  Mg  Mg36  1  0.609883  0.216862  0.669950  1
  Mg  Mg37  1  0.447231  0.891762  0.696377  1
  Mg  Mg38  1  0.163783  0.324693  0.718319  1
  Mg  Mg39  1  0.327955  0.653022  0.692223  1
  Mg  Mg40  1  0.045682  0.088489  0.714782  1
