data_LaTcSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   135.73
_cell_angle_beta   135.73
_cell_angle_gamma   64.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTcSb2
_chemical_formula_sum   'La1 Tc1 Sb2'
_cell_volume   98.69
_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  0.22  0.0  0.5  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.99  1.0
  Sb  Sb2  1  0.0  0.22  0.5  1.0

data_LaTcSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   5.9
_cell_angle_alpha   112.13
_cell_angle_beta   112.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTcSb2
_chemical_formula_sum   'La1 Tc1 Sb2'
_cell_volume   98.69
_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  0.27  0.27  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.27  0.5  0.27  1.0
  Sb  Sb3  1  0.99  0.99  0.99  1.0

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