data_KGaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   2.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaTc2
_chemical_formula_sum   'K1 Ga1 Tc2'
_cell_volume   72.21
_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  0.84  0.0  0.0  1.0
  Tc  Tc2  1  0.42  0.48  0.29  1.0
  Tc  Tc3  1  0.42  0.52  0.29  1.0

data_KGaTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   5.67
_cell_length_c   5.71
_cell_angle_alpha   119.78
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaTc2
_chemical_formula_sum   'K1 Ga1 Tc2'
_cell_volume   72.21
_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
  Ga  Ga1  1  0.0  0.0  0.84  1.0
  Tc  Tc2  1  0.29  0.48  0.89  1.0
  Tc  Tc3  1  0.29  0.52  0.94  1.0

K Ga Tc Tc