data_CuSbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   98.2
_cell_angle_beta   98.2
_cell_angle_gamma   36.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSbW2
_chemical_formula_sum   'Cu1 Sb1 W2'
_cell_volume   66.99
_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  0.19  0.0  0.33  1.0
  Sb  Sb1  1  0.8  0.0  0.57  1.0
  W  W2  1  0.01  0.0  0.08  1.0
  W  W3  1  0.73  0.0  0.21  1.0

data_CuSbW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   98.2
_cell_angle_beta   108.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSbW2
_chemical_formula_sum   'Cu1 Sb1 W2'
_cell_volume   66.99
_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  0.33  0.19  1.0
  Sb  Sb1  1  0.0  0.57  0.8  1.0
  W  W2  1  0.0  0.08  0.01  1.0
  W  W3  1  0.0  0.21  0.73  1.0

Cu Sb W W
Cu Sb W W 0 2 o o o 1 3 o o o 2 3 - o o 