data_ZrAsW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   4.57
_cell_angle_alpha   104.77
_cell_angle_beta   104.77
_cell_angle_gamma   38.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAsW2
_chemical_formula_sum   'Zr1 As1 W2'
_cell_volume   69.82
_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  0.18  0.0  0.2  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.54  0.0  0.45  1.0
  W  W2  1  0.82  0.0  0.96  1.0

data_ZrAsW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.57
_cell_length_c   5.07
_cell_angle_alpha   104.77
_cell_angle_beta   109.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAsW2
_chemical_formula_sum   'Zr1 As1 W2'
_cell_volume   69.82
_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  0.2  0.18  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.45  0.54  1.0
  W  W3  1  0.0  0.96  0.82  1.0

Zr As W W
Zr As W W 0 1 o o o 0 2 o o o 1 3 - o - 