data_Zr2AlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   147.18
_cell_angle_beta   132.42
_cell_angle_gamma   59.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AlRh
_chemical_formula_sum   'Zr2 Al1 Rh1'
_cell_volume   75.31
_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  0.77  1.0
  Zr  Zr3  1  0.62  0.0  0.47  1.0
  Al  Al0  1  0.0  0.0  0.36  1.0
  Rh  Rh1  1  0.0  0.32  0.4  1.0

data_Zr2AlRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.64
_cell_length_c   5.75
_cell_angle_alpha   113.79
_cell_angle_beta   106.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AlRh
_chemical_formula_sum   'Zr2 Al1 Rh1'
_cell_volume   75.31
_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  0.47  0.85  1.0
  Zr  Zr1  1  0.0  0.77  0.77  1.0
  Al  Al2  1  0.0  0.36  0.36  1.0
  Rh  Rh3  1  0.68  0.08  0.08  1.0

Zr Zr Al Rh
Zr Zr Al Rh 0 1 - o o 2 3 o o o 