data_TaCoAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   4.32
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCoAg2
_chemical_formula_sum   'Ta1 Co1 Ag2'
_cell_volume   63.74
_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  0.0  0.0  0.64  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.4  0.16  0.99  1.0
  Ag  Ag1  1  0.4  0.16  0.29  1.0

data_TaCoAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.32
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCoAg2
_chemical_formula_sum   'Ta1 Co1 Ag2'
_cell_volume   63.74
_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  0.64  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.4  0.16  0.29  1.0
  Ag  Ag3  1  0.4  0.16  0.99  1.0

Ta Co Ag Ag
Ta Co Ag Ag 0 3 o o o 0 1 o o + 0 2 o o o 1 2 o o - 2 3 o o + 