data_KBeTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68
_cell_length_b   7.59
_cell_length_c   2.73
_cell_angle_alpha   81.48
_cell_angle_beta   77.96
_cell_angle_gamma   20.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeTc
_chemical_formula_sum   'K1 Be1 Tc1'
_cell_volume   54.08
_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  0.75  0.09  0.87  1.0
  Be  Be0  1  0.75  0.09  0.31  1.0
  Tc  Tc2  1  0.75  0.09  0.36  1.0

data_KBeTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.5
_cell_length_b   14.77
_cell_length_c   2.73
_cell_angle_alpha   90.0
_cell_angle_beta   129.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KBeTc
_chemical_formula_sum   'K2 Be2 Tc2'
_cell_volume   108.16
_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  0.29  0.0  0.38  1.0
  Be  Be1  2  0.35  0.5  0.94  1.0
  Tc  Tc2  2  0.29  0.5  0.88  1.0

K Be Tc
K Be Tc 0 2 o o o 0 2 o o + 0 1 o o + 1 2 o o o 