data_Tc2AsP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   4.52
_cell_length_c   4.28
_cell_angle_alpha   90.0
_cell_angle_beta   92.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2AsP
_chemical_formula_sum   'Tc2 As1 P1'
_cell_volume   58.26
_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  Tc2  1  0.6  0.26  0.0  1.0
  Tc  Tc3  1  0.89  0.0  0.31  1.0
  As  As0  1  0.04  0.26  0.13  1.0
  P  P1  1  0.68  0.0  0.98  1.0

data_Tc2AsP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.28
_cell_length_c   4.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2AsP
_chemical_formula_sum   'Tc2 As1 P1'
_cell_volume   58.26
_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  0.11  0.69  0.0  1.0
  Tc  Tc1  1  0.4  1.0  0.74  1.0
  As  As2  1  0.96  0.87  0.74  1.0
  P  P3  1  0.32  0.02  0.0  1.0

Tc Tc As P
Tc Tc As P 0 3 o o - 0 2 + o o 1 3 o o - 1 2 + o o 2 3 - o - 