data_Tc2AsW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.89
_cell_angle_alpha   94.65
_cell_angle_beta   94.65
_cell_angle_gamma   37.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2AsW
_chemical_formula_sum   'Tc2 As1 W1'
_cell_volume   61.26
_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
  Tc  Tc1  1  0.81  0.0  0.68  1.0
  Tc  Tc2  1  0.41  0.0  0.19  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.11  0.0  0.44  1.0

data_Tc2AsW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.56
_cell_length_c   4.89
_cell_angle_alpha   94.65
_cell_angle_beta   90.0
_cell_angle_gamma   108.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2AsW
_chemical_formula_sum   'Tc2 As1 W1'
_cell_volume   61.26
_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
  Tc  Tc0  1  0.0  0.19  0.32  1.0
  Tc  Tc1  1  0.0  0.59  0.81  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.89  0.56  1.0

Tc Tc As W
Tc Tc As W 0 3 + o o 0 2 + o + 1 2 o o o 1 3 o o o 2 3 o o o 