data_K2BeTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.92
_cell_length_b   11.92
_cell_length_c   11.92
_cell_angle_alpha   13.92
_cell_angle_beta   13.92
_cell_angle_gamma   13.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BeTc
_chemical_formula_sum   'K2 Be1 Tc1'
_cell_volume   85.23
_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  0.59  1.0
  K  K2  1  0.0  0.0  0.81  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.7  1.0

data_K2BeTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   2.89
_cell_length_c   11.92
_cell_angle_alpha   90.0
_cell_angle_beta   98.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2BeTc
_chemical_formula_sum   'K4 Be2 Tc2'
_cell_volume   170.46
_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  0.41  1.0
  K  K1  2  0.0  0.0  0.19  1.0
  Be  Be2  2  0.0  0.0  0.0  1.0
  Tc  Tc3  2  0.0  0.0  0.3  1.0

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