data_Zr2RhW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   144.38
_cell_angle_beta   131.55
_cell_angle_gamma   61.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2RhW
_chemical_formula_sum   'Zr2 Rh1 W1'
_cell_volume   73.91
_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  0.49  1.0
  Zr  Zr3  1  0.7  0.0  0.46  1.0
  Rh  Rh0  1  0.0  0.0  0.83  1.0
  W  W1  1  0.0  0.28  0.31  1.0

data_Zr2RhW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.56
_cell_length_c   5.55
_cell_angle_alpha   114.23
_cell_angle_beta   107.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2RhW
_chemical_formula_sum   'Zr2 Rh1 W1'
_cell_volume   73.91
_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  0.24  0.54  0.24  1.0
  Zr  Zr1  1  0.51  0.51  0.51  1.0
  Rh  Rh2  1  0.17  0.17  0.17  1.0
  W  W3  1  0.69  0.97  0.97  1.0

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