data_MgAsRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAsRh2
_chemical_formula_sum   'Mg1 As1 Rh2'
_cell_volume   65.13
_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  0.59  1.0
  As  As0  1  0.1  0.0  0.96  1.0
  Rh  Rh2  1  0.1  0.0  0.17  1.0
  Rh  Rh3  1  0.0  0.0  0.33  1.0

data_MgAsRh2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MgAsRh2
_chemical_formula_sum   'Mg1 As1 Rh2'
_cell_volume   65.15
_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
  Mg  Mg0  1  0.0  0.0  0.59  1.0
  As  As1  1  0.1  0.0  0.96  1.0
  Rh  Rh2  1  0.0  0.0  0.33  1.0
  Rh  Rh3  1  0.1  0.0  0.17  1.0

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