data_AgTe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34
_cell_length_b   7.34
_cell_length_c   7.34
_cell_angle_alpha   149.41
_cell_angle_beta   147.66
_cell_angle_gamma   45.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgTe2Se
_chemical_formula_sum   'Ag1 Te2 Se1'
_cell_volume   107.22
_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  0.04  0.34  1.0
  Te  Te2  1  0.0  0.04  0.45  1.0
  Te  Te3  1  0.0  0.0  0.57  1.0
  Se  Se1  1  0.0  0.0  0.98  1.0

data_AgTe2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.09
_cell_length_c   7.34
_cell_angle_alpha   106.17
_cell_angle_beta   105.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgTe2Se
_chemical_formula_sum   'Ag1 Te2 Se1'
_cell_volume   107.22
_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  0.96  0.3  0.3  1.0
  Te  Te1  1  0.0  0.57  0.57  1.0
  Te  Te2  1  0.96  0.4  0.4  1.0
  Se  Se3  1  0.0  0.98  0.98  1.0

Ag Te Te Se