data_BeTcBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.04
_cell_length_c   3.03
_cell_angle_alpha   82.53
_cell_angle_beta   69.5
_cell_angle_gamma   27.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTcBr
_chemical_formula_sum   'Be1 Tc1 Br1'
_cell_volume   46.89
_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
  Be  Be0  1  0.54  0.6  0.0  1.0
  Tc  Tc2  1  0.54  0.6  0.1  1.0
  Br  Br1  1  0.54  0.6  0.58  1.0

data_BeTcBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.08
_cell_length_b   11.69
_cell_length_c   3.03
_cell_angle_alpha   90.0
_cell_angle_beta   120.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeTcBr
_chemical_formula_sum   'Be2 Tc2 Br2'
_cell_volume   93.78
_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
  Be  Be0  2  0.1  0.5  0.46  1.0
  Tc  Tc1  2  0.1  0.5  0.35  1.0
  Br  Br2  2  0.1  0.5  0.88  1.0

Be Tc Br