data_KTc2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.75
_cell_length_b   9.75
_cell_length_c   9.75
_cell_angle_alpha   17.92
_cell_angle_beta   17.92
_cell_angle_gamma   17.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTc2Se
_chemical_formula_sum   'K1 Tc2 Se1'
_cell_volume   76.6
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.0  0.17  1.0
  Tc  Tc3  1  0.0  0.0  0.6  1.0
  Se  Se1  1  0.0  0.0  0.39  1.0

data_KTc2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.26
_cell_length_b   3.04
_cell_length_c   9.75
_cell_angle_alpha   90.0
_cell_angle_beta   100.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KTc2Se
_chemical_formula_sum   'K2 Tc4 Se2'
_cell_volume   153.19
_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
  K  K0  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.0  0.0  0.4  1.0
  Tc  Tc2  2  0.0  0.0  0.83  1.0
  Se  Se3  2  0.0  0.0  0.61  1.0

K Tc Tc Se