data_[Nd2Zn2Ga6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7282]
_cell_length_b [5.9700]
_cell_length_c [5.7451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2333]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdZnGa3]
_chemical_formula_sum '[Nd2 Zn2 Ga6]'
_cell_volume [196.4195]
_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  2  0.3415  0.7500  0.3339  1.0
  Zn  Zn1  2  0.1415  0.2500  0.4517  1.0
  Ga  Ga2  4  0.1593  0.5004  0.8332  1.0
  Ga  Ga3  2  0.4480  0.2500  0.1485  1.0
]