data_TaNi2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   31.44
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNi2Ag
_chemical_formula_sum   'Ta1 Ni2 Ag1'
_cell_volume   57.17
_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
  Ta  Ta3  1  0.09  0.0  0.33  1.0
  Ni  Ni1  1  0.09  0.0  0.01  1.0
  Ni  Ni2  1  0.0  0.0  0.33  1.0
  Ag  Ag0  1  0.0  0.0  0.07  1.0

data_TaNi2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.17
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   105.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNi2Ag
_chemical_formula_sum   'Ta1 Ni2 Ag1'
_cell_volume   57.17
_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
  Ta  Ta0  1  0.67  0.09  0.67  1.0
  Ni  Ni1  1  0.67  0.0  0.67  1.0
  Ni  Ni2  1  0.99  0.09  0.99  1.0
  Ag  Ag3  1  0.93  0.0  0.93  1.0

Ta Ni Ni Ag