data_KGaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.38
_cell_length_b   10.38
_cell_length_c   10.38
_cell_angle_alpha   15.67
_cell_angle_beta   15.67
_cell_angle_gamma   15.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaTc2
_chemical_formula_sum   'K1 Ga1 Tc2'
_cell_volume   71.07
_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  K1  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.38  1.0
  Tc  Tc2  1  0.0  0.0  0.51  1.0
  Tc  Tc3  1  0.0  0.0  0.25  1.0

data_KGaTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.9
_cell_length_b   2.83
_cell_length_c   10.38
_cell_angle_alpha   90.0
_cell_angle_beta   99.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KGaTc2
_chemical_formula_sum   'K2 Ga2 Tc4'
_cell_volume   142.14
_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
  Ga  Ga1  2  0.0  0.0  0.62  1.0
  Tc  Tc2  2  0.0  0.0  0.49  1.0
  Tc  Tc3  2  0.0  0.0  0.75  1.0

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