data_Mn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   6.1
_cell_length_c   3.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Se
_chemical_formula_sum   'Mn4 Se2'
_cell_volume   116.41
_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
  Mn  Mn0  1  0.14  0.95  0.0  1.0
  Mn  Mn1  1  0.18  0.15  0.0  1.0
  Mn  Mn2  1  0.8  0.2  0.79  1.0
  Mn  Mn3  1  0.52  0.9  0.79  1.0
  Se  Se4  1  0.0  0.0  0.0  1.0
  Se  Se5  1  0.66  0.05  0.79  1.0

data_Mn2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   5.32
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Se
_chemical_formula_sum   'Mn4 Se2'
_cell_volume   116.41
_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
  Mn  Mn0  1  0.0  0.18  0.15  1.0
  Mn  Mn1  1  0.0  0.14  0.95  1.0
  Mn  Mn2  1  0.79  0.52  0.9  1.0
  Mn  Mn3  1  0.79  0.8  0.2  1.0
  Se  Se4  1  0.0  0.0  0.0  1.0
  Se  Se5  1  0.79  0.66  0.05  1.0

Mn Mn Mn Mn Se Se