data_LiZnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.33
_cell_length_c   3.08
_cell_angle_alpha   78.1
_cell_angle_beta   74.01
_cell_angle_gamma   27.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZnSe
_chemical_formula_sum   'Li1 Zn1 Se1'
_cell_volume   56.25
_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  0.0  0.34  0.15  1.0
  Zn  Zn2  1  0.0  0.34  0.99  1.0
  Se  Se1  1  0.0  0.34  0.87  1.0

data_LiZnSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.01
_cell_length_b   12.0
_cell_length_c   3.08
_cell_angle_alpha   90.0
_cell_angle_beta   130.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiZnSe
_chemical_formula_sum   'Li2 Zn2 Se2'
_cell_volume   112.5
_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  0.15  0.0  0.15  1.0
  Zn  Zn1  2  0.49  0.5  1.0  1.0
  Se  Se2  2  0.37  0.5  0.87  1.0

Li Zn Se