data_Sr2HfMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   8.28
_cell_angle_alpha   102.86
_cell_angle_beta   102.86
_cell_angle_gamma   58.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfMn
_chemical_formula_sum   'Sr2 Hf1 Mn1'
_cell_volume   132.57
_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  0.41  0.0  0.28  1.0
  Sr  Sr3  1  0.33  0.0  0.72  1.0
  Hf  Hf0  1  0.85  0.0  0.01  1.0
  Mn  Mn1  1  0.27  0.0  0.0  1.0

data_Sr2HfMn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   4.4
_cell_length_c   8.28
_cell_angle_alpha   102.86
_cell_angle_beta   90.0
_cell_angle_gamma   119.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfMn
_chemical_formula_sum   'Sr2 Hf1 Mn1'
_cell_volume   132.57
_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  Sr0  1  0.0  0.59  0.72  1.0
  Sr  Sr1  1  0.0  0.67  0.28  1.0
  Hf  Hf2  1  0.0  0.15  0.99  1.0
  Mn  Mn3  1  0.0  0.73  1.0  1.0

Sr Sr Hf Mn