data_[Nd6Sm2Ho8]
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
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.5685]
_cell_length_b [7.2875]
_cell_length_c [6.3165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd3SmHo4]
_chemical_formula_sum '[Nd6 Sm2 Ho8]'
_cell_volume [532.5147]
_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  0.2495  0.3717  0.0175  1.0
  Nd  Nd1  2  0.0000  0.3720  0.3543  1.0
  Sm  Sm2  2  0.0000  0.6298  0.8529  1.0
  Ho  Ho3  4  0.2497  0.8795  0.0198  1.0
  Ho  Ho4  2  0.0000  0.1202  0.8520  1.0
  Ho  Ho5  2  0.0000  0.8791  0.3509  1.0
]