# generated using pymatgen
data_MgSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22160025
_cell_length_b   4.22133418
_cell_length_c   6.81671783
_cell_angle_alpha   89.99999272
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00430264
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSe
_chemical_formula_sum   'Mg2 Se2'
_cell_volume   105.19956857
_cell_formula_units_Z   2
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  0.66668051  0.33333630  0.49831224  1.0
  Mg  Mg1  1  0.33331949  0.66666270  0.99831224  1.0
  Se  Se2  1  0.66668165  0.33336723  0.87668776  1.0
  Se  Se3  1  0.33331935  0.66663377  0.37668776  1.0