data_ZrVW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   2.81
_cell_angle_alpha   100.34
_cell_angle_beta   100.34
_cell_angle_gamma   117.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrVW2
_chemical_formula_sum   'Zr1 V1 W2'
_cell_volume   67.11
_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  0.77  0.0  0.0  1.0
  V  V0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.89  0.3  0.32  1.0
  W  W2  1  0.89  0.7  0.32  1.0

data_ZrVW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   5.26
_cell_length_c   5.37
_cell_angle_alpha   116.51
_cell_angle_beta   100.34
_cell_angle_gamma   99.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrVW2
_chemical_formula_sum   'Zr1 V1 W2'
_cell_volume   67.11
_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  0.77  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.02  0.7  0.59  1.0
  W  W3  1  0.62  0.3  0.2  1.0

Zr V W W