data_MgRh2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   148.65
_cell_angle_beta   127.65
_cell_angle_gamma   62.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRh2Cl
_chemical_formula_sum   'Mg1 Rh2 Cl1'
_cell_volume   62.91
_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
  Rh  Rh2  1  0.45  0.0  0.43  1.0
  Rh  Rh3  1  0.0  0.37  0.16  1.0
  Cl  Cl0  1  0.0  0.0  0.59  1.0

data_MgRh2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.73
_cell_length_c   5.36
_cell_angle_alpha   116.18
_cell_angle_beta   105.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRh2Cl
_chemical_formula_sum   'Mg1 Rh2 Cl1'
_cell_volume   62.91
_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
  Rh  Rh1  1  0.02  0.57  0.02  1.0
  Rh  Rh2  1  0.84  0.21  0.21  1.0
  Cl  Cl3  1  0.41  0.41  0.41  1.0

Mg Rh Rh Cl
Mg Rh Rh Cl 0 2 o o o 0 1 o o o 0 1 - o - 1 3 + o o 1 2 + o + 2 3 o o - 2 3 o + o 