data_SrHf2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   3.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2Mn
_chemical_formula_sum   'Sr1 Hf2 Mn1'
_cell_volume   86.62
_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  0.39  0.39  0.0  1.0
  Hf  Hf0  1  0.39  0.0  0.9  1.0
  Hf  Hf1  1  0.0  0.39  0.9  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0

data_SrHf2Mn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.76
_cell_length_b   6.76
_cell_length_c   3.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrHf2Mn
_chemical_formula_sum   'Sr2 Hf4 Mn2'
_cell_volume   173.23
_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  0.39  0.0  0.0  1.0
  Hf  Hf1  4  0.19  0.19  0.9  1.0
  Mn  Mn2  2  0.0  0.0  0.0  1.0

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