data_Zr2TeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TeW
_chemical_formula_sum   'Zr2 Te1 W1'
_cell_volume   85.98
_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  0.0  0.0  0.19  1.0
  Zr  Zr3  1  0.84  0.0  0.62  1.0
  Te  Te0  1  0.0  0.0  0.38  1.0
  W  W1  1  0.84  0.0  0.25  1.0

data_Zr2TeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TeW
_chemical_formula_sum   'Zr2 Te1 W1'
_cell_volume   85.98
_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  Zr0  1  0.0  0.0  0.19  1.0
  Zr  Zr1  1  0.84  0.0  0.62  1.0
  Te  Te2  1  0.0  0.0  0.38  1.0
  W  W3  1  0.84  0.0  0.25  1.0

Zr Zr Te W
Zr Zr Te W 0 3 - o o 1 2 + o o 2 3 - o o 