data_Ni2TeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.61
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2TeW
_chemical_formula_sum   'Ni2 Te1 W1'
_cell_volume   61.14
_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
  Ni  Ni0  1  0.55  0.81  0.96  1.0
  Ni  Ni1  1  0.55  0.81  0.5  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.73  1.0

data_Ni2TeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.61
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2TeW
_chemical_formula_sum   'Ni2 Te1 W1'
_cell_volume   61.14
_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
  Ni  Ni0  1  0.55  0.81  0.5  1.0
  Ni  Ni1  1  0.55  0.81  0.96  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.73  1.0

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