data_SrFe2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   133.8
_cell_angle_beta   133.8
_cell_angle_gamma   67.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFe2Rh
_chemical_formula_sum   'Sr1 Fe2 Rh1'
_cell_volume   71.25
_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  Sr3  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.03  0.0  0.16  1.0
  Fe  Fe1  1  0.0  0.03  0.16  1.0
  Rh  Rh2  1  0.0  0.0  0.31  1.0

data_SrFe2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   123.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrFe2Rh
_chemical_formula_sum   'Sr2 Fe4 Rh2'
_cell_volume   142.49
_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  2  0.0  0.0  0.0  1.0
  Fe  Fe1  4  0.48  0.48  0.12  1.0
  Rh  Rh2  2  0.0  0.0  0.31  1.0

Sr Fe Fe Rh
Sr Fe Fe Rh 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 