data_TcAgP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   5.22
_cell_angle_alpha   97.28
_cell_angle_beta   97.28
_cell_angle_gamma   43.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAgP2
_chemical_formula_sum   'Tc1 Ag1 P2'
_cell_volume   62.99
_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
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.55  0.0  0.59  1.0
  P  P1  1  0.56  0.0  0.22  1.0
  P  P2  1  0.54  0.0  0.95  1.0

data_TcAgP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.21
_cell_length_c   5.22
_cell_angle_alpha   97.28
_cell_angle_beta   90.0
_cell_angle_gamma   111.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAgP2
_chemical_formula_sum   'Tc1 Ag1 P2'
_cell_volume   62.99
_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
  Tc  Tc0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.45  0.41  1.0
  P  P2  1  0.0  0.44  0.78  1.0
  P  P3  1  0.0  0.46  0.05  1.0

Tc Ag P P