data_[Nd3Dy1Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.5016]
_cell_length_b [4.5256]
_cell_length_c [7.2517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Nd3DyCu4]
_chemical_formula_sum '[Nd3 Dy1 Cu4]'
_cell_volume [180.5400]
_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
[
  Nd  Nd0  1  0.1327  0.0000  0.6814  1
  Nd  Nd1  1  0.6297  0.5000  0.8230  1
  Nd  Nd2  1  0.8673  0.5000  0.3176  1
  Dy  Dy3  1  0.3660  0.0000  0.1810  1
  Cu  Cu4  1  0.1302  0.5000  0.9727  1
  Cu  Cu5  1  0.3770  0.5000  0.4596  1
  Cu  Cu6  1  0.6203  0.0000  0.5280  1
  Cu  Cu7  1  0.8767  0.0000  0.0368  1
]