data_Zr2BiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.43
_cell_length_b   9.43
_cell_length_c   9.43
_cell_angle_alpha   20.59
_cell_angle_beta   20.59
_cell_angle_gamma   20.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2BiW
_chemical_formula_sum   'Zr2 Bi1 W1'
_cell_volume   90.77
_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  0.0  0.0  0.48  1.0
  Zr  Zr3  1  0.0  0.0  0.2  1.0
  Bi  Bi0  1  0.0  0.0  0.84  1.0
  W  W1  1  0.0  0.0  0.0  1.0

data_Zr2BiW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.84
_cell_length_b   3.37
_cell_length_c   9.43
_cell_angle_alpha   90.0
_cell_angle_beta   101.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2BiW
_chemical_formula_sum   'Zr4 Bi2 W2'
_cell_volume   181.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.52  1.0
  Zr  Zr1  2  0.0  0.0  0.8  1.0
  Bi  Bi2  2  0.0  0.0  0.16  1.0
  W  W3  2  0.0  0.0  0.0  1.0

Zr Zr Bi W
Zr Zr Bi W 0 0 o + - 0 0 + - o 0 0 + o - 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o + 