data_Hf2AgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   134.93
_cell_angle_beta   134.93
_cell_angle_gamma   65.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AgMo
_chemical_formula_sum   'Hf2 Ag1 Mo1'
_cell_volume   76.22
_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  0.0  0.51  1.0
  Hf  Hf2  1  0.0  0.06  0.25  1.0
  Ag  Ag0  1  0.06  0.0  0.25  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_Hf2AgMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   5.36
_cell_angle_alpha   112.53
_cell_angle_beta   112.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AgMo
_chemical_formula_sum   'Hf2 Ag1 Mo1'
_cell_volume   76.22
_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  0.49  0.0  0.49  1.0
  Hf  Hf1  1  0.8  0.06  0.8  1.0
  Ag  Ag2  1  0.75  0.0  0.8  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Hf Hf Ag Mo
Hf Hf Ag Mo 0 1 o o o 0 2 o o o 1 2 o o o 1 3 o o o 2 3 o o o 