data_TcAgP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAgP2
_chemical_formula_sum   'Tc1 Ag1 P2'
_cell_volume   64.31
_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
  Ag  Ag0  1  0.0  0.0  0.23  1.0
  P  P1  1  0.55  0.0  0.63  1.0
  P  P2  1  0.55  0.0  0.82  1.0

data_TcAgP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAgP2
_chemical_formula_sum   'Tc1 Ag1 P2'
_cell_volume   64.31
_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  Tc0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.0  0.23  1.0
  P  P2  1  0.55  0.0  0.63  1.0
  P  P3  1  0.55  0.0  0.82  1.0

Tc Ag P P
Tc Ag P P 0 3 - o - 0 3 o o - 0 1 o o o 2 3 o o o 