data_TcSn2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   145.16
_cell_angle_beta   122.6
_cell_angle_gamma   68.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSn2W
_chemical_formula_sum   'Tc1 Sn2 W1'
_cell_volume   75.02
_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  Tc2  1  0.0  0.0  0.0  1.0
  Sn  Sn0  1  0.62  0.0  0.17  1.0
  Sn  Sn1  1  0.0  0.6  0.29  1.0
  W  W3  1  0.0  0.0  0.46  1.0

data_TcSn2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.2
_cell_length_c   5.41
_cell_angle_alpha   118.7
_cell_angle_beta   107.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSn2W
_chemical_formula_sum   'Tc1 Sn2 W1'
_cell_volume   75.02
_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
  Sn  Sn1  1  0.0  0.17  0.55  1.0
  Sn  Sn2  1  0.4  0.69  0.69  1.0
  W  W3  1  0.0  0.46  0.46  1.0

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