data_LiTcBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   2.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcBr
_chemical_formula_sum   'Li1 Tc1 Br1'
_cell_volume   49.62
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.19  0.26  0.5  1.0
  Br  Br0  1  1.0  0.53  0.5  1.0

data_LiTcBr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.38
_cell_length_b   2.99
_cell_length_c   4.38
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiTcBr
_chemical_formula_sum   'Li1 Tc1 Br1'
_cell_volume   49.62
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.19  0.5  0.26  1.0
  Br  Br2  1  1.0  0.5  0.53  1.0

Li Tc Br
Li Tc Br 0 1 o o - 0 1 o o o 1 2 - o o 