data_NaLaCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   5.39
_cell_angle_alpha   100.87
_cell_angle_beta   100.87
_cell_angle_gamma   37.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaCo2
_chemical_formula_sum   'Na1 La1 Co2'
_cell_volume   75.6
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  La  La2  1  0.04  0.0  0.64  1.0
  Co  Co0  1  0.5  0.0  0.95  1.0
  Co  Co1  1  0.58  0.0  0.33  1.0

data_NaLaCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.84
_cell_length_c   5.39
_cell_angle_alpha   100.87
_cell_angle_beta   90.0
_cell_angle_gamma   108.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaCo2
_chemical_formula_sum   'Na1 La1 Co2'
_cell_volume   75.6
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.0  0.96  0.36  1.0
  Co  Co2  1  0.0  0.42  0.67  1.0
  Co  Co3  1  0.0  0.5  0.05  1.0

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