data_InSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   5.95
_cell_length_c   20.09
_cell_angle_alpha   84.26
_cell_angle_beta   83.97
_cell_angle_gamma   69.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSe
_chemical_formula_sum   'In2 Se2'
_cell_volume   453.28
_cell_formula_units_Z   2
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
  In  In0  1  0.01  0.03  0.95  1.0
  In  In1  1  0.26  0.55  0.91  1.0
  Se  Se2  1  0.89  0.38  0.85  1.0
  Se  Se3  1  0.39  0.21  0.02  1.0

In In Se Se 0 3 - o + 0 3 o o + 0 1 o - o 0 2 - o o 1 2 - o o 1 2 o o o 1 3 o o + 
data_InSe
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   11.18
_cell_length_b   4.07
_cell_length_c   20.37
_cell_angle_alpha   90.0
_cell_angle_beta   101.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   InSe
_chemical_formula_sum   'In4 Se4'
_cell_volume   906.57
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  In  In0  4  0.13  0.5  0.52  1.0
  Se  Se1  4  0.25  0.5  0.41  1.0
