data_Zr2TeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   139.33
_cell_angle_beta   127.01
_cell_angle_gamma   68.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TeW
_chemical_formula_sum   'Zr2 Te1 W1'
_cell_volume   82.63
_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  0.43  0.13  1.0
  Zr  Zr3  1  0.89  0.0  0.36  1.0
  Te  Te0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.0  0.0  0.49  1.0

data_Zr2TeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.86
_cell_length_c   5.45
_cell_angle_alpha   116.49
_cell_angle_beta   110.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TeW
_chemical_formula_sum   'Zr2 Te1 W1'
_cell_volume   82.63
_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  0.36  0.47  1.0
  Zr  Zr1  1  0.57  0.7  0.7  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.49  0.49  1.0

Zr Zr Te W