data_Mg2ZrRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   139.45
_cell_angle_beta   125.61
_cell_angle_gamma   70.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZrRh
_chemical_formula_sum   'Mg2 Zr1 Rh1'
_cell_volume   76.47
_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
  Mg  Mg0  1  0.0  0.41  0.32  1.0
  Mg  Mg1  1  0.0  0.0  0.29  1.0
  Zr  Zr3  1  0.0  0.0  0.43  1.0
  Rh  Rh2  1  0.83  0.0  0.28  1.0

data_Mg2ZrRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   4.83
_cell_length_c   5.28
_cell_angle_alpha   117.2
_cell_angle_beta   110.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZrRh
_chemical_formula_sum   'Mg2 Zr1 Rh1'
_cell_volume   76.47
_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
  Mg  Mg0  1  0.68  0.1  0.1  1.0
  Mg  Mg1  1  0.71  0.71  0.71  1.0
  Zr  Zr2  1  0.57  0.57  0.57  1.0
  Rh  Rh3  1  0.55  0.72  0.55  1.0

Mg Mg Zr Rh