data_[Yb1Mg1Cu1N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3901]
_cell_length_b [3.3901]
_cell_length_c [6.1316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [YbMgCuN2]
_chemical_formula_sum '[Yb1 Mg1 Cu1 N2]'
_cell_volume [61.0294]
_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
[
  Yb  Yb0  1  0.6667  0.3333  0.5002  1
  Mg  Mg1  1  0.3333  0.6667  0.1324  1
  Cu  Cu2  1  0.0000  0.0000  0.8348  1
  N  N3  1  0.0000  0.0000  0.2617  1
  N  N4  1  0.3333  0.6667  0.7709  1
]