# generated using pymatgen
data_MgO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25921014
_cell_length_b   3.25916582
_cell_length_c   15.46054298
_cell_angle_alpha   90.01737923
_cell_angle_beta   89.98568035
_cell_angle_gamma   120.02951487
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgO
_chemical_formula_sum   'Mg6 O6'
_cell_volume   142.18210235
_cell_formula_units_Z   6
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  0.33307216  0.66694627  0.35199978  1.0
  Mg  Mg1  1  0.33339127  0.66658014  0.02079814  1.0
  Mg  Mg2  1  -0.00006051  0.99995700  0.18622464  1.0
  Mg  Mg3  1  0.99905471  0.00144787  0.51789529  1.0
  Mg  Mg4  1  0.00102909  0.99872205  0.85256789  1.0
  Mg  Mg5  1  0.66673608  0.33323184  0.68610545  1.0
  O  O6  1  0.33324822  0.66668358  0.14839227  1.0
  O  O7  1  0.33245309  0.66787157  0.47958076  1.0
  O  O8  1  0.00023667  0.99970232  0.98158602  1.0
  O  O9  1  0.99987796  0.00010372  0.31400082  1.0
  O  O10  1  0.99993277  -0.00000027  0.64689181  1.0
  O  O11  1  0.66762850  0.33215393  0.81392813  1.0