data_[Nd6Lu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Lu  1.2700  1.7500  1.0010
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.6843]
_cell_length_b [11.7015]
_cell_length_c [6.3102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Nd3Lu]
_chemical_formula_sum '[Nd6 Lu2]'
_cell_volume [272.0428]
_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
[
  Nd  Nd0  4  0.0000  0.2539  0.3344  1.0
  Nd  Nd1  2  0.0000  0.5000  0.9975  1.0
  Lu  Lu2  2  0.0000  0.0000  0.0003  1.0
]