data_[Nd2Ga3Cu1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8182]
_cell_length_b [4.4328]
_cell_length_c [7.6740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd2Ga3Cu]
_chemical_formula_sum '[Nd2 Ga3 Cu1]'
_cell_volume [129.8861]
_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  0.0000  0.0000  0.4980  1.0
  Nd  Nd1  1  0.0000  0.5000  0.0027  1.0
  Ga  Ga2  1  0.5000  0.0000  0.1753  1.0
  Ga  Ga3  1  0.5000  0.0000  0.8362  1.0
  Ga  Ga4  1  0.5000  0.5000  0.6575  1.0
  Cu  Cu5  1  0.5000  0.5000  0.3304  1.0
]