# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18782602
_cell_length_b   13.49685290
_cell_length_c   51.19213178
_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   2202.5731529
_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  1.063819  0.433253  0.280962  1
  Mg  Mg2  1  1.063819  0.212700  0.261206  1
  Mg  Mg3  1  1.063819  0.842030  0.288140  1
  Mg  Mg4  1  0.563819  0.267680  0.312884  1
  Mg  Mg5  1  0.563819  0.010515  0.258010  1
  Mg  Mg6  1  0.563819  0.637569  0.284748  1
  Mg  Mg7  1  1.063819  0.323543  0.364857  1
  Mg  Mg8  1  1.063819  0.064310  0.309382  1
  Mg  Mg9  1  1.063819  0.693490  0.336707  1
  Mg  Mg10  1  0.563819  0.119591  0.361403  1
  Mg  Mg11  1  0.563819  0.897356  0.340363  1
  Mg  Mg12  1  0.563819  0.489581  0.333064  1
  Mg  Mg13  1  1.063819  0.175250  0.413495  1
  Mg  Mg14  1  1.063819  0.953031  0.392669  1
  Mg  Mg15  1  1.063819  0.545315  0.385358  1
  Mg  Mg16  1  0.563819  0.008782  0.444929  1
  Mg  Mg17  1  0.563819  0.749172  0.388987  1
  Mg  Mg18  1  0.563819  0.379068  0.417011  1
  Mg  Mg19  1  1.063819  0.064461  0.497190  1
  Mg  Mg20  1  1.063819  0.804858  0.441275  1
  Mg  Mg21  1  1.063819  0.434615  0.469184  1
  Mg  Mg22  1  0.563819  0.860562  0.493550  1
  Mg  Mg23  1  0.563819  0.600959  0.437635  1
  Mg  Mg24  1  0.563819  0.230805  0.465641  1
  Mg  Mg25  1  1.063819  0.916248  0.545838  1
  Mg  Mg26  1  1.063819  0.656637  0.489896  1
  Mg  Mg27  1  1.063819  0.286352  0.517814  1
  Mg  Mg28  1  0.563819  0.712389  0.542156  1
  Mg  Mg29  1  0.563819  0.490170  0.521330  1
  Mg  Mg30  1  0.563819  0.120105  0.549467  1
  Mg  Mg31  1  1.063819  0.768064  0.594461  1
  Mg  Mg32  1  1.063819  0.545828  0.573422  1
  Mg  Mg33  1  1.063819  0.175839  0.601761  1
  Mg  Mg34  1  0.563819  0.601109  0.625443  1
  Mg  Mg35  1  0.563819  0.341876  0.569968  1
  Mg  Mg36  1  0.563819  0.971930  0.598118  1
  Mg  Mg37  1  1.063819  0.654905  0.676815  1
  Mg  Mg38  1  1.063819  0.397740  0.621941  1
  Mg  Mg39  1  1.063819  0.027851  0.650077  1
  Mg  Mg40  1  0.563819  0.452720  0.673619  1
  Mg  Mg41  1  0.563819  0.232167  0.653863  1
  Mg  Mg42  1  0.563819  0.823389  0.646685  1
