data_Ti2CoAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CoAg
_chemical_formula_sum   'Ti2 Co1 Ag1'
_cell_volume   61.77
_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
  Ti  Ti2  1  0.64  0.0  0.25  1.0
  Ti  Ti3  1  0.0  0.0  0.43  1.0
  Co  Co1  1  0.0  0.0  0.93  1.0
  Ag  Ag0  1  0.64  0.0  0.08  1.0

data_Ti2CoAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CoAg
_chemical_formula_sum   'Ti2 Co1 Ag1'
_cell_volume   61.77
_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
  Ti  Ti0  1  0.0  0.0  0.43  1.0
  Ti  Ti1  1  0.64  0.0  0.25  1.0
  Co  Co2  1  0.0  0.0  0.93  1.0
  Ag  Ag3  1  0.64  0.0  0.08  1.0

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