data_La2TiCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   5.06
_cell_angle_alpha   113.17
_cell_angle_beta   113.17
_cell_angle_gamma   31.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TiCo
_chemical_formula_sum   'La2 Ti1 Co1'
_cell_volume   98.67
_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  0.36  0.0  0.1  1.0
  La  La2  1  0.47  0.0  0.4  1.0
  Ti  Ti3  1  0.41  0.0  0.96  1.0
  Co  Co0  1  0.1  0.0  0.47  1.0

data_La2TiCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.06
_cell_length_c   6.39
_cell_angle_alpha   113.17
_cell_angle_beta   105.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TiCo
_chemical_formula_sum   'La2 Ti1 Co1'
_cell_volume   98.67
_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  0.1  0.36  1.0
  La  La1  1  0.0  0.4  0.47  1.0
  Ti  Ti2  1  0.0  0.96  0.41  1.0
  Co  Co3  1  0.0  0.47  0.1  1.0

La La Ti Co