data_AgTe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   110.76
_cell_angle_beta   110.76
_cell_angle_gamma   106.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgTe2Se
_chemical_formula_sum   'Ag1 Te2 Se1'
_cell_volume   105.2
_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
  Ag  Ag0  1  0.0  0.0  0.07  1.0
  Te  Te2  1  0.0  0.93  0.0  1.0
  Te  Te3  1  0.93  0.0  0.0  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_AgTe2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.14
_cell_length_b   8.28
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   126.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgTe2Se
_chemical_formula_sum   'Ag2 Te4 Se2'
_cell_volume   210.41
_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
  Ag  Ag0  2  0.43  0.5  0.93  1.0
  Te  Te1  4  0.46  0.46  -0.0  1.0
  Se  Se2  2  -0.0  0.0  0.0  1.0

Ag Te Te Se