data_CuAs2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   143.43
_cell_angle_beta   133.04
_cell_angle_gamma   60.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAs2W
_chemical_formula_sum   'Cu1 As2 W1'
_cell_volume   62.53
_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  0.0  0.0  0.45  1.0
  As  As0  1  0.0  0.0  0.96  1.0
  As  As1  1  0.65  0.0  0.43  1.0
  W  W3  1  0.0  0.09  0.28  1.0

data_CuAs2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.19
_cell_length_c   5.26
_cell_angle_alpha   113.48
_cell_angle_beta   108.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAs2W
_chemical_formula_sum   'Cu1 As2 W1'
_cell_volume   62.53
_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  0.45  0.45  1.0
  As  As1  1  0.0  0.43  0.78  1.0
  As  As2  1  0.0  0.96  0.96  1.0
  W  W3  1  0.91  0.18  0.18  1.0

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