data_[Gd1Tm6Lu1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Tm  1.2500  1.7500  1.0950
  Lu  1.2700  1.7500  1.0010
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.0988]
_cell_length_b [7.0988]
_cell_length_c [5.5221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [GdTm6Lu]
_chemical_formula_sum '[Gd1 Tm6 Lu1]'
_cell_volume [240.9935]
_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
[
  Gd  Gd0  1  0.0000  0.0000  0.0000  1
  Tm  Tm1  3  0.0009  0.5004  0.0000  1
  Tm  Tm2  3  0.1670  0.3341  0.5000  1
  Lu  Lu3  1  0.6667  0.3333  0.5000  1
]