data_Sr2MnRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   120.69
_cell_angle_beta   120.69
_cell_angle_gamma   88.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MnRh
_chemical_formula_sum   'Sr2 Mn1 Rh1'
_cell_volume   105.81
_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  0.64  0.9  1.0
  Sr  Sr3  1  0.64  0.0  0.9  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.0  0.81  1.0

data_Sr2MnRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.46
_cell_length_b   7.46
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   134.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2MnRh
_chemical_formula_sum   'Sr4 Mn2 Rh2'
_cell_volume   211.63
_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  0.41  0.32  0.73  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  Rh  Rh2  2  0.19  0.0  0.19  1.0

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