data_LaIn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   9.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaIn2Se
_chemical_formula_sum   'La1 In2 Se1'
_cell_volume   115.61
_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
  La  La2  1  0.0  0.0  0.59  1.0
  In  In0  1  0.04  0.0  0.95  1.0
  In  In1  1  0.04  0.0  0.24  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_LaIn2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   9.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaIn2Se
_chemical_formula_sum   'La1 In2 Se1'
_cell_volume   115.61
_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
  La  La0  1  0.0  0.0  0.59  1.0
  In  In1  1  0.04  0.0  0.24  1.0
  In  In2  1  0.04  0.0  0.95  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

La In In Se
La In In Se 0 0 + + o 0 0 o + o 0 0 + o o 0 2 o o o 0 3 o o + 0 1 o o o 1 3 o o + 1 2 o o + 2 3 o o o 