data_HfSc2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   4.23
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   104.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc2Mn
_chemical_formula_sum   'Hf1 Sc2 Mn1'
_cell_volume   78.07
_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
  Hf  Hf0  1  0.54  0.11  0.09  1.0
  Sc  Sc2  1  0.84  0.11  0.63  1.0
  Sc  Sc3  1  0.01  0.0  0.51  1.0
  Mn  Mn1  1  0.69  0.0  0.26  1.0

data_HfSc2Mn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.23
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   104.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc2Mn
_chemical_formula_sum   'Hf1 Sc2 Mn1'
_cell_volume   78.07
_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
  Hf  Hf0  1  0.54  0.11  0.09  1.0
  Sc  Sc1  1  0.01  0.0  0.51  1.0
  Sc  Sc2  1  0.84  0.11  0.63  1.0
  Mn  Mn3  1  0.69  0.0  0.26  1.0

Hf Sc Sc Mn