data_InAg2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   4.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAg2Se
_chemical_formula_sum   'In1 Ag2 Se1'
_cell_volume   84.33
_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
  In  In2  1  0.24  0.24  0.0  1.0
  Ag  Ag0  1  0.0  0.24  0.1  1.0
  Ag  Ag1  1  0.24  0.0  0.1  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_InAg2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   4.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InAg2Se
_chemical_formula_sum   'In2 Ag4 Se2'
_cell_volume   168.67
_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
  In  In0  2  0.24  0.0  0.0  1.0
  Ag  Ag1  4  0.12  0.12  0.1  1.0
  Se  Se2  2  0.0  0.0  0.0  1.0

In Ag Ag Se
In Ag Ag Se 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o o 