data_[Lu6Mn1Al2]
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 [P-62m]
_cell_length_a [8.2356]
_cell_length_b [8.2356]
_cell_length_c [3.7764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Lu6MnAl2]
_chemical_formula_sum '[Lu6 Mn1 Al2]'
_cell_volume [221.8198]
_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
[
  Lu  Lu0  3  0.0000  0.2457  0.0000  1.0
  Lu  Lu1  3  0.0000  0.6106  0.5000  1.0
  Mn  Mn2  1  0.0000  0.0000  0.5000  1.0
  Al  Al3  2  0.3333  0.6667  0.0000  1.0
]