data_Zn2TcP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.57
_cell_angle_alpha   109.25
_cell_angle_beta   109.25
_cell_angle_gamma   41.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2TcP
_chemical_formula_sum   'Zn2 Tc1 P1'
_cell_volume   57.49
_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
  Zn  Zn2  1  0.98  0.0  0.13  1.0
  Zn  Zn3  1  0.05  0.0  0.87  1.0
  Tc  Tc1  1  0.83  0.0  0.8  1.0
  P  P0  1  0.3  0.0  0.61  1.0

data_Zn2TcP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.49
_cell_length_c   4.57
_cell_angle_alpha   109.25
_cell_angle_beta   90.0
_cell_angle_gamma   110.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2TcP
_chemical_formula_sum   'Zn2 Tc1 P1'
_cell_volume   57.49
_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
  Zn  Zn0  1  0.0  0.02  0.87  1.0
  Zn  Zn1  1  0.0  0.95  0.13  1.0
  Tc  Tc2  1  0.0  0.17  0.2  1.0
  P  P3  1  0.0  0.7  0.39  1.0

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