data_[Tm2Lu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Lu  1.2700  1.7500  1.0010
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.4560]
_cell_length_b [3.4560]
_cell_length_c [14.7580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [TmLu2]
_chemical_formula_sum '[Tm2 Lu4]'
_cell_volume [176.2633]
_cell_formula_units_Z [2]
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
[
  Tm  Tm0  2  0.0000  0.0000  0.0000  1
  Lu  Lu1  4  0.0000  0.0000  0.3331  1
]