data_[Ce4Tl5Co2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.0278]
_cell_length_b [3.5860]
_cell_length_c [9.7091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce4Tl5Co2]
_chemical_formula_sum '[Ce4 Tl5 Co2]'
_cell_volume [278.4507]
_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
[
  Ce  Ce0  2  0.1851  0.5000  0.8305  1.0
  Ce  Ce1  2  0.2004  0.5000  0.4382  1.0
  Tl  Tl2  2  0.1559  0.0000  0.1395  1.0
  Tl  Tl3  2  0.4617  0.0000  0.6634  1.0
  Tl  Tl4  1  0.5000  0.0000  0.0000  1.0
  Co  Co5  2  0.0842  0.0000  0.6358  1.0
]