data_LaTcSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   40.17
_cell_angle_beta   40.17
_cell_angle_gamma   40.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTcSe2
_chemical_formula_sum   'La1 Tc1 Se2'
_cell_volume   84.85
_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  0.0  0.0  0.39  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.0  0.0  0.23  1.0
  Se  Se2  1  0.0  0.0  0.55  1.0

data_LaTcSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.25
_cell_length_b   4.19
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   113.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaTcSe2
_chemical_formula_sum   'La2 Tc2 Se4'
_cell_volume   169.71
_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
  La  La0  2  0.0  0.0  0.61  1.0
  Tc  Tc1  2  0.0  0.0  0.0  1.0
  Se  Se2  2  0.0  0.0  0.45  1.0
  Se  Se3  2  0.0  0.0  0.77  1.0

La Tc Se Se