data_Zr3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   116.48
_cell_angle_beta   116.48
_cell_angle_gamma   116.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Rh
_chemical_formula_sum   'Zr3 Rh1'
_cell_volume   79.64
_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  Zr1  1  0.66  0.65  0.05  1.0
  Zr  Zr2  1  0.34  0.65  0.05  1.0
  Zr  Zr3  1  0.0  0.71  0.05  1.0
  Rh  Rh0  1  0.0  0.0  0.0  1.0

data_Zr3Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   116.48
_cell_angle_beta   100.95
_cell_angle_gamma   100.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Rh
_chemical_formula_sum   'Zr3 Rh1'
_cell_volume   79.64
_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  0.05  0.05  0.34  1.0
  Zr  Zr1  1  0.05  0.7  0.4  1.0
  Zr  Zr2  1  0.05  0.39  0.4  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

Zr Zr Zr Rh