data_TaVAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.94
_cell_length_b   9.94
_cell_length_c   9.94
_cell_angle_alpha   16.31
_cell_angle_beta   16.31
_cell_angle_gamma   16.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVAg2
_chemical_formula_sum   'Ta1 V1 Ag2'
_cell_volume   67.55
_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  0.71  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.44  1.0
  Ag  Ag1  1  0.0  0.0  0.98  1.0

data_TaVAg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.89
_cell_length_b   2.82
_cell_length_c   9.94
_cell_angle_alpha   90.0
_cell_angle_beta   99.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaVAg2
_chemical_formula_sum   'Ta2 V2 Ag4'
_cell_volume   135.1
_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  0.29  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  Ag  Ag2  2  0.0  0.0  0.02  1.0
  Ag  Ag3  2  0.0  0.0  0.56  1.0

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