data_Ta2ReAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.01
_cell_length_b   10.01
_cell_length_c   10.01
_cell_angle_alpha   16.35
_cell_angle_beta   16.35
_cell_angle_gamma   16.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ReAg
_chemical_formula_sum   'Ta2 Re1 Ag1'
_cell_volume   69.27
_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  0.28  1.0
  Ta  Ta3  1  0.0  0.0  0.33  1.0
  Re  Re1  1  0.0  0.0  0.81  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Ta2ReAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   2.85
_cell_length_c   10.01
_cell_angle_alpha   90.0
_cell_angle_beta   99.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2ReAg
_chemical_formula_sum   'Ta4 Re2 Ag2'
_cell_volume   138.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.67  1.0
  Ta  Ta1  2  0.0  0.0  0.72  1.0
  Re  Re2  2  0.0  0.0  0.19  1.0
  Ag  Ag3  2  0.0  0.0  0.0  1.0

Ta Ta Re Ag