data_TaGaAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   4.77
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   94.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGaAg2
_chemical_formula_sum   'Ta1 Ga1 Ag2'
_cell_volume   69.61
_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  0.2  0.0  0.56  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.2  0.39  0.85  1.0
  Ag  Ag1  1  0.21  0.39  0.27  1.0

data_TaGaAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.77
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   94.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGaAg2
_chemical_formula_sum   'Ta1 Ga1 Ag2'
_cell_volume   69.61
_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  0.2  0.0  0.56  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.2  0.39  0.85  1.0
  Ag  Ag3  1  0.21  0.39  0.27  1.0

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