data_CoTeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.67
_cell_angle_alpha   109.15
_cell_angle_beta   109.15
_cell_angle_gamma   37.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTeMo2
_chemical_formula_sum   'Co1 Te1 Mo2'
_cell_volume   63.57
_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  0.64  0.0  0.85  1.0
  Te  Te3  1  0.64  0.0  0.24  1.0
  Mo  Mo1  1  0.1  0.0  0.24  1.0
  Mo  Mo2  1  0.06  0.0  0.23  1.0

data_CoTeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.67
_cell_length_c   4.88
_cell_angle_alpha   109.15
_cell_angle_beta   108.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTeMo2
_chemical_formula_sum   'Co1 Te1 Mo2'
_cell_volume   63.57
_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  0.0  0.85  0.64  1.0
  Te  Te1  1  0.0  0.24  0.64  1.0
  Mo  Mo2  1  0.0  0.23  0.06  1.0
  Mo  Mo3  1  0.0  0.24  0.1  1.0

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