data_ZrReW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   145.56
_cell_angle_beta   130.15
_cell_angle_gamma   62.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrReW2
_chemical_formula_sum   'Zr1 Re1 W2'
_cell_volume   68.18
_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  Zr3  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.0  0.0  0.65  1.0
  W  W1  1  0.0  0.29  0.24  1.0
  W  W2  1  0.61  0.0  0.4  1.0

data_ZrReW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.57
_cell_length_c   5.42
_cell_angle_alpha   114.93
_cell_angle_beta   107.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrReW2
_chemical_formula_sum   'Zr1 Re1 W2'
_cell_volume   68.18
_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
  Re  Re1  1  0.35  0.35  0.35  1.0
  W  W2  1  0.2  0.6  0.2  1.0
  W  W3  1  0.76  0.04  0.04  1.0

Zr Re W W