data_HfMn2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   4.4
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   95.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2Ag
_chemical_formula_sum   'Hf1 Mn2 Ag1'
_cell_volume   64.66
_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  Hf1  1  0.21  0.0  0.54  1.0
  Mn  Mn2  1  0.14  0.2  0.51  1.0
  Mn  Mn3  1  0.28  0.2  0.58  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_HfMn2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.4
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   95.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2Ag
_chemical_formula_sum   'Hf1 Mn2 Ag1'
_cell_volume   64.66
_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  0.21  0.0  0.54  1.0
  Mn  Mn1  1  0.14  0.2  0.51  1.0
  Mn  Mn2  1  0.28  0.2  0.58  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

Hf Mn Mn Ag
Hf Mn Mn Ag 0 1 o o o 0 2 o o o 0 3 + o + 0 3 o o + 0 3 o o o 1 2 o o o 1 3 o o + 1 3 o o o 2 3 + o + 2 3 o o + 2 3 o o o 3 3 + o o 