data_LaNb2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   140.41
_cell_angle_beta   122.73
_cell_angle_gamma   71.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2Co
_chemical_formula_sum   'La1 Nb2 Co1'
_cell_volume   76.98
_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  0.0  0.53  0.93  1.0
  Nb  Nb2  1  0.0  0.0  0.04  1.0
  Nb  Nb3  1  0.79  0.0  0.43  1.0
  Co  Co0  1  0.0  0.0  0.13  1.0

data_LaNb2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   5.05
_cell_length_c   5.27
_cell_angle_alpha   118.64
_cell_angle_beta   109.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2Co
_chemical_formula_sum   'La1 Nb2 Co1'
_cell_volume   76.98
_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  0.07  0.6  0.6  1.0
  Nb  Nb1  1  0.35  0.57  0.35  1.0
  Nb  Nb2  1  0.96  0.96  0.96  1.0
  Co  Co3  1  0.87  0.87  0.87  1.0

La Nb Nb Co
La Nb Nb Co 0 2 - o o 0 3 o + + 0 1 o + + 1 3 o o o 