data_[La12Co4Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.4837]
_cell_length_b [7.4507]
_cell_length_c [6.3241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3377]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [La3CoSn]
_chemical_formula_sum '[La12 Co4 Sn4]'
_cell_volume [583.4029]
_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  4  0.1441  0.2677  0.4608  1.0
  La  La1  4  0.4131  0.2179  0.8296  1.0
  La  La2  2  0.1629  0.0000  0.9793  1.0
  La  La3  2  0.3843  0.5000  0.2979  1.0
  Co  Co4  2  0.0169  0.0000  0.6611  1.0
  Co  Co5  2  0.2919  0.5000  0.6804  1.0
  Sn  Sn6  2  0.1543  0.5000  0.9633  1.0
  Sn  Sn7  2  0.3858  0.0000  0.3453  1.0
]