data_La2TcBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   8.58
_cell_angle_alpha   107.09
_cell_angle_beta   107.09
_cell_angle_gamma   69.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TcBr
_chemical_formula_sum   'La2 Tc1 Br1'
_cell_volume   109.8
_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
  La  La1  1  0.0  0.0  0.69  1.0
  La  La2  1  0.23  0.0  0.32  1.0
  Tc  Tc3  1  0.62  0.0  0.01  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_La2TcBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   8.3
_cell_angle_alpha   98.06
_cell_angle_beta   99.06
_cell_angle_gamma   110.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TcBr
_chemical_formula_sum   'La2 Tc1 Br1'
_cell_volume   109.8
_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
  La  La0  1  0.32  0.0  0.31  1.0
  La  La1  1  0.91  0.0  0.68  1.0
  Tc  Tc2  1  0.61  0.0  0.99  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

La La Tc Br