data_LiMnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.5
_cell_length_b   6.26
_cell_length_c   2.9
_cell_angle_alpha   81.65
_cell_angle_beta   72.14
_cell_angle_gamma   26.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnSe
_chemical_formula_sum   'Li1 Mn1 Se1'
_cell_volume   47.21
_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
  Li  Li0  1  0.62  0.41  0.05  1.0
  Mn  Mn1  1  0.62  0.41  0.22  1.0
  Se  Se2  1  0.62  0.41  0.8  1.0

data_LiMnSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.25
_cell_length_b   12.08
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   124.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiMnSe
_chemical_formula_sum   'Li2 Mn2 Se2'
_cell_volume   94.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Li  Li0  2  0.05  0.0  0.68  1.0
  Mn  Mn1  2  0.22  0.0  0.85  1.0
  Se  Se2  2  0.3  0.5  0.43  1.0

Li Mn Se
Li Mn Se 0 1 o o o 0 2 o o - 