data_ZrVW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   119.98
_cell_angle_beta   119.86
_cell_angle_gamma   90.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrVW
_chemical_formula_sum   'Zr2 V2 W2'
_cell_volume   106.0
_cell_formula_units_Z   2
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  0.66  0.33  0.06  1.0
  Zr  Zr1  1  0.0  0.33  0.69  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.66  0.0  1.0
  W  W4  1  0.33  0.33  0.88  1.0
  W  W5  1  0.67  0.33  0.88  1.0

data_ZrVW
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   90.14
_cell_angle_beta   119.86
_cell_angle_gamma   119.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrVW
_chemical_formula_sum   'Zr2 V2 W2'
_cell_volume   106.0
_cell_formula_units_Z   2
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  0.31  0.67  0.0  1.0
  Zr  Zr1  1  0.94  0.67  0.34  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.34  0.0  1.0
  W  W4  1  0.12  0.67  0.33  1.0
  W  W5  1  0.12  0.67  0.67  1.0

Zr Zr V V W W