data_CoTeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   4.15
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   103.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTeMo2
_chemical_formula_sum   'Co1 Te1 Mo2'
_cell_volume   63.72
_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  0.32  0.0  0.9  1.0
  Te  Te3  1  0.34  0.08  0.61  1.0
  Mo  Mo1  1  0.82  0.08  0.04  1.0
  Mo  Mo2  1  0.91  0.0  0.29  1.0

data_CoTeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.15
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   103.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTeMo2
_chemical_formula_sum   'Co1 Te1 Mo2'
_cell_volume   63.72
_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  0.32  0.0  0.9  1.0
  Te  Te1  1  0.34  0.08  0.61  1.0
  Mo  Mo2  1  0.82  0.08  0.04  1.0
  Mo  Mo3  1  0.91  0.0  0.29  1.0

Co Te Mo Mo
Co Te Mo Mo 0 2 - o + 0 2 o o + 0 1 o o o 1 3 - o o 2 3 o o o 