data_CuAs2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   3.76
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   97.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAs2W
_chemical_formula_sum   'Cu1 As2 W1'
_cell_volume   70.41
_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  Cu2  1  0.29  0.0  0.34  1.0
  As  As0  1  0.38  0.0  0.14  1.0
  As  As1  1  0.94  0.88  0.27  1.0
  W  W3  1  0.85  0.88  0.82  1.0

data_CuAs2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   3.76
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   97.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAs2W
_chemical_formula_sum   'Cu1 As2 W1'
_cell_volume   70.41
_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  0.29  0.0  0.34  1.0
  As  As1  1  0.38  0.0  0.14  1.0
  As  As2  1  0.94  0.88  0.27  1.0
  W  W3  1  0.85  0.88  0.82  1.0

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