data_CoAgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98
_cell_length_b   6.98
_cell_length_c   6.98
_cell_angle_alpha   153.0
_cell_angle_beta   145.62
_cell_angle_gamma   44.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAgTe2
_chemical_formula_sum   'Co1 Ag1 Te2'
_cell_volume   86.84
_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
  Co  Co1  1  0.0  0.0  0.09  1.0
  Ag  Ag0  1  0.0  0.06  0.8  1.0
  Te  Te2  1  0.0  0.06  0.63  1.0
  Te  Te3  1  0.0  0.0  0.87  1.0

data_CoAgTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.12
_cell_length_c   6.98
_cell_angle_alpha   107.19
_cell_angle_beta   103.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAgTe2
_chemical_formula_sum   'Co1 Ag1 Te2'
_cell_volume   86.84
_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
  Co  Co0  1  0.91  0.91  0.91  1.0
  Ag  Ag1  1  0.2  0.27  0.27  1.0
  Te  Te2  1  0.13  0.13  0.13  1.0
  Te  Te3  1  0.37  0.43  0.43  1.0

Co Ag Te Te
Co Ag Te Te 0 3 o o - 1 3 o o o 1 2 o o o 