data_ZnTcP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   125.02
_cell_angle_beta   125.02
_cell_angle_gamma   81.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTcP2
_chemical_formula_sum   'Zn1 Tc1 P2'
_cell_volume   55.17
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.0  0.34  1.0
  P  P0  1  0.03  0.0  0.67  1.0
  P  P1  1  0.0  0.03  0.67  1.0

data_ZnTcP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   4.4
_cell_angle_alpha   90.0
_cell_angle_beta   130.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnTcP2
_chemical_formula_sum   'Zn2 Tc2 P4'
_cell_volume   110.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.0  0.0  0.34  1.0
  P  P2  4  0.48  0.48  0.63  1.0

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