data_KY2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   10.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KY2Tc
_chemical_formula_sum   'K1 Y2 Tc1'
_cell_volume   129.91
_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
  Y  Y2  1  0.75  0.75  0.9  1.0
  Y  Y3  1  0.75  0.75  0.68  1.0
  Tc  Tc1  1  0.0  0.0  0.29  1.0

data_KY2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   10.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KY2Tc
_chemical_formula_sum   'K2 Y4 Tc2'
_cell_volume   259.81
_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
  Y  Y1  2  0.25  0.5  0.68  1.0
  Y  Y2  2  0.25  0.5  0.9  1.0
  Tc  Tc3  2  0.0  0.0  0.29  1.0

K Y Y Tc
K Y Y Tc 0 1 - - - 0 3 o o o 1 2 o o o 3 3 + o o 3 3 o + o 