data_[Lu4In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.2829]
_cell_length_b [5.2829]
_cell_length_c [6.6091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Lu2In]
_chemical_formula_sum '[Lu4 In2]'
_cell_volume [159.7396]
_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
[
  Lu  Lu0  2  0.0000  0.0000  0.0000  1.0
  Lu  Lu1  2  0.3333  0.6667  0.7500  1.0
  In  In2  2  0.3333  0.6667  0.2500  1.0
]