data_Zr3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Rh
_chemical_formula_sum   'Zr3 Rh1'
_cell_volume   84.3
_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  0.0  0.0  0.0  1.0
  Zr  Zr2  1  0.0  0.87  0.68  1.0
  Zr  Zr3  1  0.0  0.87  0.57  1.0
  Rh  Rh0  1  0.0  0.0  0.63  1.0

data_Zr3Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.24
_cell_length_b   5.62
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr3Rh
_chemical_formula_sum   'Zr6 Rh2'
_cell_volume   168.59
_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  0.0  1.0
  Zr  Zr1  2  0.37  0.5  0.57  1.0
  Zr  Zr2  2  0.37  0.5  0.68  1.0
  Rh  Rh3  2  0.0  0.0  0.63  1.0

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