data_Li2SeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   7.1
_cell_angle_alpha   28.11
_cell_angle_beta   28.11
_cell_angle_gamma   28.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2SeCl
_chemical_formula_sum   'Li2 Se1 Cl1'
_cell_volume   70.11
_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  Li1  1  0.0  0.0  0.13  1.0
  Li  Li2  1  0.0  0.0  0.31  1.0
  Se  Se3  1  0.0  0.0  0.22  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Li2SeCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.97
_cell_length_b   3.45
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   106.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2SeCl
_chemical_formula_sum   'Li4 Se2 Cl2'
_cell_volume   140.21
_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  0.0  0.0  0.69  1.0
  Li  Li1  2  0.0  0.0  0.87  1.0
  Se  Se2  2  0.0  0.0  0.78  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Li Li Se Cl
Li Li Se Cl 0 2 o o o 0 3 o o o 1 2 o o o 