data_TcNi2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   128.27
_cell_angle_beta   128.27
_cell_angle_gamma   76.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcNi2Ag
_chemical_formula_sum   'Tc1 Ni2 Ag1'
_cell_volume   53.43
_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
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.95  0.76  1.0
  Ni  Ni2  1  0.95  0.0  0.76  1.0
  Ag  Ag0  1  0.0  0.0  0.52  1.0

data_TcNi2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   128.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcNi2Ag
_chemical_formula_sum   'Tc2 Ni4 Ag2'
_cell_volume   106.86
_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
  Tc  Tc0  2  0.0  0.0  0.0  1.0
  Ni  Ni1  4  0.22  0.03  0.19  1.0
  Ag  Ag2  2  0.48  0.0  0.48  1.0

Tc Ni Ni Ag
Tc Ni Ni Ag 0 2 - o - 0 1 o - - 1 2 - + o 1 3 o + o 2 3 + o o 