data_Zr2ReW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   145.57
_cell_angle_beta   128.91
_cell_angle_gamma   63.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ReW
_chemical_formula_sum   'Zr2 Re1 W1'
_cell_volume   73.03
_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  0.63  0.0  0.42  1.0
  Zr  Zr3  1  0.0  0.38  0.28  1.0
  Re  Re0  1  0.0  0.0  0.7  1.0
  W  W1  1  0.0  0.0  0.0  1.0

data_Zr2ReW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.76
_cell_length_c   5.52
_cell_angle_alpha   115.55
_cell_angle_beta   107.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ReW
_chemical_formula_sum   'Zr2 Re1 W1'
_cell_volume   73.03
_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  0.21  0.58  0.21  1.0
  Zr  Zr1  1  0.72  0.1  0.1  1.0
  Re  Re2  1  0.3  0.3  0.3  1.0
  W  W3  1  0.0  0.0  0.0  1.0

Zr Zr Re W