# generated using pymatgen
data_MnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18683553
_cell_length_b   4.18683590
_cell_length_c   4.18683535
_cell_angle_alpha   59.99998775
_cell_angle_beta   59.99998483
_cell_angle_gamma   60.00000237
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSe
_chemical_formula_sum   'Mn1 Se1'
_cell_volume   51.89704653
_cell_formula_units_Z   1
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
  Mn  Mn0  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se1  1  0.25000000  0.25000000  0.25000000  1.0