data_CoTeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTeAu2
_chemical_formula_sum   'Co1 Te1 Au2'
_cell_volume   78.96
_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  Co2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.54  1.0
  Au  Au0  1  0.02  0.0  0.35  1.0
  Au  Au1  1  0.02  0.0  0.73  1.0

data_CoTeAu2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.03
_cell_length_b   4.32
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   CoTeAu2
_chemical_formula_sum   'Co2 Te2 Au4'
_cell_volume   157.91
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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
  Co  Co0  2  0.0  0.0  0.0  1.0
  Te  Te1  2  0.0  0.0  0.46  1.0
  Au  Au2  2  0.0  0.0  0.27  1.0
  Au  Au3  2  0.0  0.0  0.65  1.0

Co Te Au Au