data_ZrTeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01
_cell_length_b   6.74
_cell_length_c   3.22
_cell_angle_alpha   81.11
_cell_angle_beta   71.87
_cell_angle_gamma   27.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTeMo
_chemical_formula_sum   'Zr1 Te1 Mo1'
_cell_volume   63.03
_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
  Zr  Zr2  1  0.83  0.65  0.42  1.0
  Te  Te1  1  0.83  0.65  0.58  1.0
  Mo  Mo0  1  0.83  0.65  0.96  1.0

data_ZrTeMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.66
_cell_length_b   12.98
_cell_length_c   3.22
_cell_angle_alpha   90.0
_cell_angle_beta   124.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrTeMo
_chemical_formula_sum   'Zr2 Te2 Mo2'
_cell_volume   126.06
_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
  Zr  Zr0  2  0.1  0.0  0.75  1.0
  Te  Te1  2  0.44  0.5  0.59  1.0
  Mo  Mo2  2  0.06  0.5  0.21  1.0

Zr Te Mo
Zr Te Mo 0 1 o o o 1 2 o o o 