data_[Lu2Mn8Al16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.7181]
_cell_length_b [8.7181]
_cell_length_c [5.1343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Lu(MnAl2)4]
_chemical_formula_sum '[Lu2 Mn8 Al16]'
_cell_volume [390.2322]
_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
  Mn  Mn1  8  0.2500  0.2500  0.2500  1.0
  Al  Al2  8  0.0000  0.2240  0.5000  1.0
  Al  Al3  8  0.0000  0.3351  0.0000  1.0
]