data_MgGaRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   5.04
_cell_angle_alpha   101.43
_cell_angle_beta   101.43
_cell_angle_gamma   38.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGaRh2
_chemical_formula_sum   'Mg1 Ga1 Rh2'
_cell_volume   60.44
_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  Mg1  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.66  0.0  0.46  1.0
  Rh  Rh2  1  0.07  0.0  0.3  1.0
  Rh  Rh3  1  0.25  0.0  0.63  1.0

data_MgGaRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.44
_cell_length_c   5.04
_cell_angle_alpha   101.43
_cell_angle_beta   90.0
_cell_angle_gamma   109.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGaRh2
_chemical_formula_sum   'Mg1 Ga1 Rh2'
_cell_volume   60.44
_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  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.34  0.54  1.0
  Rh  Rh2  1  0.0  0.75  0.37  1.0
  Rh  Rh3  1  0.0  0.93  0.7  1.0

Mg Ga Rh Rh
Mg Ga Rh Rh 0 2 o o o 1 3 o o o 1 2 + o o 2 3 o o o 