data_Tc2IrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   2.69
_cell_angle_alpha   99.67
_cell_angle_beta   99.67
_cell_angle_gamma   117.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2IrW
_chemical_formula_sum   'Tc2 Ir1 W1'
_cell_volume   60.53
_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  0.91  0.78  0.27  1.0
  Tc  Tc2  1  0.91  0.22  0.27  1.0
  Ir  Ir0  1  0.68  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Tc2IrW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   5.16
_cell_length_c   5.19
_cell_angle_alpha   116.77
_cell_angle_beta   99.67
_cell_angle_gamma   100.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2IrW
_chemical_formula_sum   'Tc2 Ir1 W1'
_cell_volume   60.53
_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  0.05  0.78  0.69  1.0
  Tc  Tc1  1  0.49  0.22  0.12  1.0
  Ir  Ir2  1  0.0  0.0  0.68  1.0
  W  W3  1  0.0  0.0  0.0  1.0

Tc Tc Ir W