data_TcAgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.95
_cell_angle_alpha   99.67
_cell_angle_beta   99.67
_cell_angle_gamma   32.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAgW2
_chemical_formula_sum   'Tc1 Ag1 W2'
_cell_volume   64.25
_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  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.3  0.0  0.44  1.0
  W  W2  1  0.83  0.0  0.18  1.0
  W  W3  1  0.76  0.0  0.69  1.0

data_TcAgW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.93
_cell_length_c   4.95
_cell_angle_alpha   99.67
_cell_angle_beta   90.0
_cell_angle_gamma   106.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAgW2
_chemical_formula_sum   'Tc1 Ag1 W2'
_cell_volume   64.25
_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  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.7  0.56  1.0
  W  W2  1  0.0  0.17  0.82  1.0
  W  W3  1  0.0  0.24  0.31  1.0

Tc Ag W W
Tc Ag W W 0 2 - o o 0 1 o o o 0 3 - o - 1 2 - o o 1 1 + - o 1 3 o o o 