data_[Lu4Ge1P1N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.5074]
_cell_length_b [3.5074]
_cell_length_c [13.0409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Lu4GePN2]
_chemical_formula_sum '[Lu4 Ge1 P1 N2]'
_cell_volume [138.9335]
_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  2  0.0000  0.0000  0.1636  1
  Lu  Lu1  2  0.6667  0.3333  0.3634  1
  Ge  Ge2  1  0.6667  0.3333  0.0000  1
  P  P3  1  0.0000  0.0000  0.5000  1
  N  N4  2  0.3333  0.6667  0.2590  1
]