data_[La4Co4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5478]
_cell_length_b [5.5584]
_cell_length_c [9.4018]
_cell_angle_alpha [107.1017]
_cell_angle_beta [90.1199]
_cell_angle_gamma [119.3145]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaCoO3]
_chemical_formula_sum '[La4 Co4 O12]'
_cell_volume [237.8774]
_cell_formula_units_Z [4]
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  0.1263  0.7489  0.8728  1
  La  La1  1  0.3676  0.2488  0.6270  1
  La  La2  1  0.6274  0.7525  0.3746  1
  La  La3  1  0.8814  0.2523  0.1244  1
  Co  Co4  1  0.2545  0.0011  0.2494  1
  Co  Co5  1  0.5048  0.5049  0.0005  1
  Co  Co6  1  0.7451  0.0003  0.7515  1
  Co  Co7  1  0.9955  0.4950  0.4967  1
  O  O8  1  0.0551  0.1765  0.3728  1
  O  O9  1  0.1466  0.3289  0.8805  1
  O  O10  1  0.1902  0.7436  0.3707  1
  O  O11  1  0.3229  0.2637  0.1248  1
  O  O12  1  0.3484  0.6739  0.6259  1
  O  O13  1  0.4488  0.8128  0.1210  1
  O  O14  1  0.5566  0.1836  0.8769  1
  O  O15  1  0.6347  0.3192  0.3813  1
  O  O16  1  0.6945  0.7493  0.8732  1
  O  O17  1  0.8041  0.2438  0.6320  1
  O  O18  1  0.8651  0.6784  0.1183  1
  O  O19  1  0.9304  0.8226  0.6256  1
]