data_CuNi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   132.17
_cell_angle_beta   129.62
_cell_angle_gamma   72.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNi2W
_chemical_formula_sum   'Cu1 Ni2 W1'
_cell_volume   48.69
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.89  0.8  1.0
  Ni  Ni2  1  0.8  0.0  0.79  1.0
  W  W3  1  0.0  0.0  0.59  1.0

data_CuNi2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   3.77
_cell_length_c   4.43
_cell_angle_alpha   115.19
_cell_angle_beta   113.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNi2W
_chemical_formula_sum   'Cu1 Ni2 W1'
_cell_volume   48.69
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.01  0.21  0.01  1.0
  Ni  Ni2  1  0.2  0.09  0.09  1.0
  W  W3  1  0.41  0.41  0.41  1.0

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