data_[Nd4Mg6Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1796]
_cell_length_b [4.3519]
_cell_length_c [7.3003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Mg3Cu2]
_chemical_formula_sum '[Nd4 Mg6 Cu4]'
_cell_volume [322.0863]
_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  0.1305  0.5000  0.3513  1.0
  Mg  Mg1  4  0.1773  0.5000  0.8604  1.0
  Mg  Mg2  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu3  4  0.0764  0.0000  0.6453  1.0
]