data_Zr2TcW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   139.3
_cell_angle_beta   139.3
_cell_angle_gamma   58.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TcW
_chemical_formula_sum   'Zr2 Tc1 W1'
_cell_volume   74.86
_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
  Zr  Zr2  1  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.96  0.0  0.45  1.0
  Tc  Tc0  1  0.0  0.0  0.9  1.0
  W  W1  1  0.0  0.96  0.45  1.0

data_Zr2TcW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   5.62
_cell_angle_alpha   110.35
_cell_angle_beta   110.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TcW
_chemical_formula_sum   'Zr2 Tc1 W1'
_cell_volume   74.86
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Zr  Zr1  1  0.45  0.49  0.49  1.0
  Tc  Tc2  1  0.9  0.9  0.9  1.0
  W  W3  1  0.49  0.45  0.49  1.0

Zr Zr Tc W