data_LaCuTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   5.84
_cell_angle_alpha   110.88
_cell_angle_beta   110.88
_cell_angle_gamma   56.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCuTc2
_chemical_formula_sum   'La1 Cu1 Tc2'
_cell_volume   82.23
_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  0.09  0.0  0.35  1.0
  Cu  Cu0  1  0.63  0.0  0.29  1.0
  Tc  Tc2  1  0.18  0.0  0.52  1.0
  Tc  Tc3  1  0.11  0.0  0.2  1.0

data_LaCuTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.3
_cell_length_c   5.84
_cell_angle_alpha   110.88
_cell_angle_beta   90.0
_cell_angle_gamma   118.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCuTc2
_chemical_formula_sum   'La1 Cu1 Tc2'
_cell_volume   82.23
_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  0.91  0.65  1.0
  Cu  Cu1  1  0.0  0.37  0.71  1.0
  Tc  Tc2  1  0.0  0.82  0.48  1.0
  Tc  Tc3  1  0.0  0.89  0.8  1.0

La Cu Tc Tc