data_YTc2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   4.77
_cell_angle_alpha   109.73
_cell_angle_beta   109.73
_cell_angle_gamma   42.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTc2Ag
_chemical_formula_sum   'Y1 Tc2 Ag1'
_cell_volume   83.17
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.84  0.0  0.64  1.0
  Tc  Tc2  1  0.2  0.0  0.81  1.0
  Ag  Ag0  1  0.02  0.0  0.22  1.0

data_YTc2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   4.77
_cell_length_c   5.25
_cell_angle_alpha   109.73
_cell_angle_beta   111.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTc2Ag
_chemical_formula_sum   'Y1 Tc2 Ag1'
_cell_volume   83.17
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.64  0.84  1.0
  Tc  Tc2  1  0.0  0.81  0.2  1.0
  Ag  Ag3  1  0.0  0.22  0.02  1.0

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