data_KCrTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   2.55
_cell_angle_alpha   97.64
_cell_angle_beta   97.64
_cell_angle_gamma   120.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCrTc2
_chemical_formula_sum   'K1 Cr1 Tc2'
_cell_volume   65.41
_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
  Cr  Cr0  1  0.76  0.0  0.0  1.0
  Tc  Tc2  1  0.04  0.41  0.23  1.0
  Tc  Tc3  1  0.04  0.59  0.23  1.0

data_KCrTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   5.43
_cell_length_c   5.55
_cell_angle_alpha   116.35
_cell_angle_beta   97.64
_cell_angle_gamma   101.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCrTc2
_chemical_formula_sum   'K1 Cr1 Tc2'
_cell_volume   65.41
_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
  Cr  Cr1  1  0.0  0.0  0.76  1.0
  Tc  Tc2  1  0.64  0.41  0.45  1.0
  Tc  Tc3  1  0.83  0.59  0.63  1.0

K Cr Tc Tc