data_[Nd4Sm1Tm7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0994]
_cell_length_b [7.9233]
_cell_length_c [7.9704]
_cell_angle_alpha [72.9403]
_cell_angle_beta [77.5389]
_cell_angle_gamma [63.8143]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd4SmTm7]
_chemical_formula_sum '[Nd4 Sm1 Tm7]'
_cell_volume [382.6747]
_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  0.1655  0.3352  0.6678  1
  Nd  Nd1  2  0.4175  0.8309  0.6675  1
  Sm  Sm2  1  0.0000  0.0000  0.0000  1
  Tm  Tm3  2  0.0840  0.1655  0.3324  1
  Tm  Tm4  2  0.2506  0.4985  0.0013  1
  Tm  Tm5  2  0.3330  0.6687  0.3310  1
  Tm  Tm6  1  0.5000  0.0000  0.0000  1
]