data_CuTc2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   4.35
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   99.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTc2W
_chemical_formula_sum   'Cu1 Tc2 W1'
_cell_volume   58.45
_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
  Tc  Tc1  1  0.7  0.17  0.22  1.0
  Tc  Tc2  1  0.09  0.17  0.87  1.0
  W  W3  1  0.89  0.0  0.55  1.0

data_CuTc2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.35
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   99.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTc2W
_chemical_formula_sum   'Cu1 Tc2 W1'
_cell_volume   58.45
_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
  Tc  Tc1  1  0.09  0.17  0.87  1.0
  Tc  Tc2  1  0.7  0.17  0.22  1.0
  W  W3  1  0.89  0.0  0.55  1.0

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