data_[La12Tl4Co4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.3603]
_cell_length_b [12.9085]
_cell_length_c [8.9124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La3TlCo]
_chemical_formula_sum '[La12 Tl4 Co4]'
_cell_volume [616.6753]
_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  8  0.0000  0.3707  0.5561  1.0
  La  La1  4  0.0000  0.0511  0.7500  1.0
  Tl  Tl2  4  0.0000  0.2278  0.2500  1.0
  Co  Co3  4  0.0000  0.4501  0.2500  1.0
]