data_[La6Tm3Cu9Ni36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5698]
_cell_length_b [8.5698]
_cell_length_c [12.1985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La2Tm(CuNi4)3]
_chemical_formula_sum '[La6 Tm3 Cu9 Ni36]'
_cell_volume [775.8467]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3187  1
  Tm  Tm1  3  0.0000  0.0000  0.0000  1
  Cu  Cu2  9  0.0000  0.5000  0.5000  1
  Ni  Ni3  18  0.0029  0.5015  0.7023  1
  Ni  Ni4  18  0.0126  0.5063  0.1070  1
]