data_[Nd3Ga10Ni1]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.2686]
_cell_length_b [4.2920]
_cell_length_c [15.3918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Nd3Ga10Ni]
_chemical_formula_sum '[Nd3 Ga10 Ni1]'
_cell_volume [281.9898]
_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  2  0.0000  0.0000  0.2488  1.0
  Nd  Nd1  1  0.0000  0.5000  0.5000  1.0
  Ga  Ga2  2  0.0000  0.5000  0.0846  1.0
  Ga  Ga3  2  0.5000  0.0000  0.0848  1.0
  Ga  Ga4  2  0.5000  0.0000  0.4202  1.0
  Ga  Ga5  2  0.5000  0.5000  0.1847  1.0
  Ga  Ga6  2  0.5000  0.5000  0.3420  1.0
  Ni  Ni7  1  0.0000  0.0000  0.0000  1.0
]