data_[Nd12Tm4Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5362]
_cell_length_b [5.1316]
_cell_length_c [8.0251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3TmGa2]
_chemical_formula_sum '[Nd12 Tm4 Ga8]'
_cell_volume [674.5267]
_cell_formula_units_Z [4]
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  4  0.0572  0.0000  0.8218  1.0
  Nd  Nd1  4  0.1209  0.5000  0.5343  1.0
  Nd  Nd2  4  0.1809  0.5000  0.9973  1.0
  Tm  Tm3  4  0.1646  0.0000  0.2795  1.0
  Ga  Ga4  4  0.0330  0.5000  0.1686  1.0
  Ga  Ga5  4  0.2193  0.0000  0.6639  1.0
]