data_HfV2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   132.75
_cell_angle_beta   132.75
_cell_angle_gamma   69.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfV2Ag
_chemical_formula_sum   'Hf1 V2 Ag1'
_cell_volume   66.3
_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  0.0  0.01  0.06  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.01  0.0  0.06  1.0
  Ag  Ag0  1  0.0  0.0  0.12  1.0

data_HfV2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   124.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfV2Ag
_chemical_formula_sum   'Hf2 V4 Ag2'
_cell_volume   132.6
_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
  Hf  Hf0  2  0.44  0.5  0.94  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  V  V2  2  0.44  0.5  0.94  1.0
  Ag  Ag3  2  0.38  0.5  0.88  1.0

Hf V V Ag