data_TaAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   147.65
_cell_angle_beta   127.99
_cell_angle_gamma   62.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAg2
_chemical_formula_sum   'Ta1 Ag2'
_cell_volume   52.7
_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  Ta2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.86  1.0
  Ag  Ag1  1  0.0  0.0  0.71  1.0

data_TaAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.4
_cell_length_c   5.02
_cell_angle_alpha   116.01
_cell_angle_beta   106.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAg2
_chemical_formula_sum   'Ta1 Ag2'
_cell_volume   52.7
_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  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.14  0.14  0.14  1.0
  Ag  Ag2  1  0.29  0.29  0.29  1.0

Ta Ag Ag
Ta Ag Ag 0 1 o o - 1 2 o o o 