data_Mn2AlSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   35.63
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2AlSe
_chemical_formula_sum   'Mn2 Al1 Se1'
_cell_volume   59.86
_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  Mn1  1  0.19  0.0  0.68  1.0
  Mn  Mn2  1  0.0  0.0  0.46  1.0
  Al  Al0  1  0.0  0.0  0.04  1.0
  Se  Se3  1  0.19  0.0  0.33  1.0

data_Mn2AlSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.37
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   107.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2AlSe
_chemical_formula_sum   'Mn2 Al1 Se1'
_cell_volume   59.86
_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  0.32  0.19  0.32  1.0
  Mn  Mn1  1  0.54  0.0  0.54  1.0
  Al  Al2  1  0.96  0.0  0.96  1.0
  Se  Se3  1  0.67  0.19  0.67  1.0

Mn Mn Al Se