data_[Nd2Ga6Ag2]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [5.9303]
_cell_length_b [5.8412]
_cell_length_c [6.2428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NdGa3Ag]
_chemical_formula_sum '[Nd2 Ga6 Ag2]'
_cell_volume [216.2505]
_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  0.0000  0.8262  0.0703  1
  Ga  Ga1  4  0.2337  0.7045  0.5169  1
  Ga  Ga2  2  0.0000  0.1052  0.6746  1
  Ag  Ag3  2  0.0000  0.3605  0.3430  1
]