# generated using pymatgen
data_MgO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25059722
_cell_length_b   3.25059116
_cell_length_c   10.38633773
_cell_angle_alpha   90.00300929
_cell_angle_beta   89.99786739
_cell_angle_gamma   119.99760949
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgO
_chemical_formula_sum   'Mg4 O4'
_cell_volume   95.04494899
_cell_formula_units_Z   4
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  0.33333976  0.66668424  0.96966238  1.0
  Mg  Mg1  1  0.00000178  0.00001704  0.22100231  1.0
  Mg  Mg2  1  0.00001686  0.00000150  0.72100300  1.0
  Mg  Mg3  1  0.66664783  0.33338233  0.46966197  1.0
  O  O4  1  0.33335999  0.66666159  0.77984015  1.0
  O  O5  1  0.99999296  0.00003988  0.52949334  1.0
  O  O6  1  0.99998901  0.00004022  0.02949352  1.0
  O  O7  1  0.66665180  0.33337321  0.27983933  1.0