data_Zn2TcSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.71
_cell_angle_alpha   99.19
_cell_angle_beta   99.19
_cell_angle_gamma   38.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2TcSe
_chemical_formula_sum   'Zn2 Tc1 Se1'
_cell_volume   64.14
_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  0.01  0.0  0.63  1.0
  Zn  Zn3  1  0.47  0.0  0.02  1.0
  Tc  Tc1  1  0.57  0.0  0.4  1.0
  Se  Se0  1  0.25  0.0  0.55  1.0

data_Zn2TcSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.71
_cell_length_c   4.72
_cell_angle_alpha   99.19
_cell_angle_beta   109.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2TcSe
_chemical_formula_sum   'Zn2 Tc1 Se1'
_cell_volume   64.14
_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  0.47  1.0
  Zn  Zn1  1  0.0  0.63  0.01  1.0
  Tc  Tc2  1  0.0  0.4  0.57  1.0
  Se  Se3  1  0.0  0.55  0.25  1.0

Zn Zn Tc Se
Zn Zn Tc Se 0 3 o o o 1 2 o o o 2 3 o o o 