data_ReTc2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   2.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTc2W
_chemical_formula_sum   'Re1 Tc2 W1'
_cell_volume   60.75
_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
  Re  Re0  1  0.78  0.0  0.0  1.0
  Tc  Tc1  1  0.39  0.04  0.39  1.0
  Tc  Tc2  1  0.39  0.96  0.39  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_ReTc2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   109.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTc2W
_chemical_formula_sum   'Re1 Tc2 W1'
_cell_volume   60.75
_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
  Re  Re0  1  0.0  0.78  0.0  1.0
  Tc  Tc1  1  0.39  0.39  0.04  1.0
  Tc  Tc2  1  0.39  0.39  0.96  1.0
  W  W3  1  0.0  0.0  0.0  1.0

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