data_AgTe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   10.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgTe2Os
_chemical_formula_sum   'Ag1 Te2 Os1'
_cell_volume   91.01
_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  0.02  1.0
  Te  Te2  1  0.0  0.0  0.63  1.0
  Te  Te3  1  0.59  0.0  0.62  1.0
  Os  Os1  1  0.59  0.0  0.7  1.0

data_AgTe2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.12
_cell_length_b   5.48
_cell_length_c   10.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgTe2Os
_chemical_formula_sum   'Ag2 Te4 Os2'
_cell_volume   182.09
_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  0.0  0.0  0.02  1.0
  Te  Te1  2  0.0  0.0  0.63  1.0
  Te  Te2  2  0.09  0.5  0.62  1.0
  Os  Os3  2  0.09  0.5  0.7  1.0

Ag Te Te Os
Ag Te Te Os 0 0 + + o 0 0 o + o 0 0 + o o 0 3 - o - 1 2 - o o 1 3 - o o 2 3 o o o 