data_KTcMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   7.02
_cell_angle_alpha   95.67
_cell_angle_beta   95.67
_cell_angle_gamma   36.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTcMo2
_chemical_formula_sum   'K1 Tc1 Mo2'
_cell_volume   100.58
_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  Tc3  1  0.31  0.0  0.49  1.0
  Mo  Mo1  1  0.63  0.0  0.33  1.0
  Mo  Mo2  1  0.99  0.0  0.65  1.0

data_KTcMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.92
_cell_length_c   7.02
_cell_angle_alpha   95.67
_cell_angle_beta   90.0
_cell_angle_gamma   108.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTcMo2
_chemical_formula_sum   'K1 Tc1 Mo2'
_cell_volume   100.58
_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  Tc1  1  0.0  0.69  0.51  1.0
  Mo  Mo2  1  0.0  0.01  0.35  1.0
  Mo  Mo3  1  0.0  0.37  0.67  1.0

K Tc Mo Mo