data_[Nd14Tm8Sc2]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1205]
_cell_length_b [5.9096]
_cell_length_c [9.3839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5222]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd7Tm4Sc]
_chemical_formula_sum '[Nd14 Tm8 Sc2]'
_cell_volume [799.8791]
_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  4  0.0810  0.0000  0.4373  1
  Nd  Nd1  4  0.2041  0.0000  0.2240  1
  Nd  Nd2  4  0.2084  0.0000  0.8769  1
  Nd  Nd3  2  0.0000  0.5000  0.0000  1
  Tm  Tm4  4  0.0727  0.5000  0.6955  1
  Tm  Tm5  4  0.1739  0.5000  0.3948  1
  Sc  Sc6  2  0.0000  0.0000  0.0000  1
]