data_LaTcSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   3.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTcSb2
_chemical_formula_sum   'La1 Tc1 Sb2'
_cell_volume   95.58
_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  0.5  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.75  0.19  0.89  1.0
  Sb  Sb2  1  0.75  0.81  0.89  1.0

data_LaTcSb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.77
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaTcSb2
_chemical_formula_sum   'La1 Tc1 Sb2'
_cell_volume   95.65
_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
  La  La0  1  0.0  0.0  0.5  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  2  0.89  0.19  0.75  1.0

La Tc Sb Sb
La Tc Sb Sb 0 3 o - - 0 2 o o - 1 3 - - - 1 2 - o - 2 3 o - o 