data_Ta2CrAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   144.7
_cell_angle_beta   129.35
_cell_angle_gamma   63.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CrAg
_chemical_formula_sum   'Ta2 Cr1 Ag1'
_cell_volume   66.18
_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  0.27  0.31  1.0
  Ta  Ta3  1  0.0  0.0  0.22  1.0
  Cr  Cr1  1  0.0  0.0  0.89  1.0
  Ag  Ag0  1  0.0  0.27  0.14  1.0

data_Ta2CrAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.54
_cell_length_c   5.31
_cell_angle_alpha   115.32
_cell_angle_beta   107.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CrAg
_chemical_formula_sum   'Ta2 Cr1 Ag1'
_cell_volume   66.18
_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  0.69  0.96  0.96  1.0
  Ta  Ta1  1  0.78  0.78  0.78  1.0
  Cr  Cr2  1  0.11  0.11  0.11  1.0
  Ag  Ag3  1  0.86  0.13  0.13  1.0

Ta Ta Cr Ag
Ta Ta Cr Ag 0 1 o o o 0 3 o o o 2 3 o o + 