data_CrTc2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTc2Ag
_chemical_formula_sum   'Cr1 Tc2 Ag1'
_cell_volume   58.99
_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
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.52  0.0  0.98  1.0
  Tc  Tc3  1  0.52  0.0  0.94  1.0
  Ag  Ag0  1  0.0  0.0  0.46  1.0

data_CrTc2Ag
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.66
_cell_length_b   8.91
_cell_length_c   2.66
_cell_angle_alpha   90.0
_cell_angle_beta   110.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   CrTc2Ag
_chemical_formula_sum   'Cr1 Tc2 Ag1'
_cell_volume   58.99
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.5  0.02  0.0  1.0
  Tc  Tc2  1  0.5  0.06  0.0  1.0
  Ag  Ag3  1  0.0  0.54  0.0  1.0

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