data_AgTe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   137.37
_cell_angle_beta   137.37
_cell_angle_gamma   61.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgTe2Se
_chemical_formula_sum   'Ag1 Te2 Se1'
_cell_volume   91.42
_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  0.13  0.52  1.0
  Te  Te2  1  0.13  0.0  0.52  1.0
  Te  Te3  1  0.0  0.0  0.03  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_AgTe2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   5.86
_cell_angle_alpha   111.31
_cell_angle_beta   111.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgTe2Se
_chemical_formula_sum   'Ag1 Te2 Se1'
_cell_volume   91.42
_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  0.38  0.52  0.38  1.0
  Te  Te1  1  0.03  0.03  0.03  1.0
  Te  Te2  1  0.52  0.38  0.38  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Ag Te Te Se