data_ZrMn2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.92
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMn2Rh
_chemical_formula_sum   'Zr1 Mn2 Rh1'
_cell_volume   64.71
_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  Zr3  1  0.0  0.0  0.0  1.0
  Mn  Mn0  1  0.5  0.96  0.44  1.0
  Mn  Mn1  1  0.5  0.96  0.05  1.0
  Rh  Rh2  1  0.0  0.0  0.74  1.0

data_ZrMn2Rh
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.92
_cell_length_b   3.01
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZrMn2Rh
_chemical_formula_sum   'Zr1 Mn2 Rh1'
_cell_volume   64.71
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  1.0
  Mn  Mn1  1  0.96  0.5  0.05  1.0
  Mn  Mn2  1  0.96  0.5  0.44  1.0
  Rh  Rh3  1  0.0  0.0  0.74  1.0

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