data_Zr2TeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   143.85
_cell_angle_beta   132.09
_cell_angle_gamma   61.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TeW
_chemical_formula_sum   'Zr2 Te1 W1'
_cell_volume   82.74
_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  0.7  1.0
  Zr  Zr3  1  0.79  0.0  0.4  1.0
  Te  Te0  1  0.0  0.0  0.16  1.0
  W  W1  1  0.0  0.34  0.54  1.0

data_Zr2TeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.68
_cell_length_c   5.76
_cell_angle_alpha   113.95
_cell_angle_beta   108.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TeW
_chemical_formula_sum   'Zr2 Te1 W1'
_cell_volume   82.74
_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  0.3  0.3  0.3  1.0
  Zr  Zr1  1  0.39  0.6  0.39  1.0
  Te  Te2  1  0.84  0.84  0.84  1.0
  W  W3  1  0.46  0.8  0.8  1.0

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