data_Sr2MgRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   121.06
_cell_angle_beta   121.06
_cell_angle_gamma   88.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MgRh
_chemical_formula_sum   'Sr2 Mg1 Rh1'
_cell_volume   115.33
_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
  Sr  Sr2  1  0.0  0.7  0.97  1.0
  Sr  Sr3  1  0.7  0.0  0.97  1.0
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.0  0.95  1.0

data_Sr2MgRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.65
_cell_length_b   7.65
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   134.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2MgRh
_chemical_formula_sum   'Sr4 Mg2 Rh2'
_cell_volume   230.65
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sr  Sr0  4  0.15  0.15  0.27  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  Rh  Rh2  2  0.0  0.0  0.95  1.0

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