data_CaLa2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   127.84
_cell_angle_beta   127.84
_cell_angle_gamma   76.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLa2Tc
_chemical_formula_sum   'Ca1 La2 Tc1'
_cell_volume   107.06
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.47  0.0  0.2  1.0
  La  La2  1  0.0  0.0  0.4  1.0
  Tc  Tc3  1  0.0  0.47  0.2  1.0

data_CaLa2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   5.61
_cell_angle_alpha   116.08
_cell_angle_beta   116.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLa2Tc
_chemical_formula_sum   'Ca1 La2 Tc1'
_cell_volume   107.06
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.2  0.73  0.73  1.0
  La  La2  1  0.4  0.4  0.4  1.0
  Tc  Tc3  1  0.73  0.2  0.73  1.0

Ca La La Tc
Ca La La Tc 0 3 o o o 0 1 o o o 0 2 o o o 1 2 + o o 2 3 o - o 