data_[Nd6Sm4Ho2S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9755]
_cell_length_b [12.0504]
_cell_length_c [6.9459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Sm2HoS6]
_chemical_formula_sum '[Nd6 Sm4 Ho2 S12]'
_cell_volume [550.1117]
_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  0.0000  0.1698  0.5000  1.0
  Nd  Nd1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  4  0.0000  0.3331  0.0000  1.0
  Ho  Ho3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2428  0.1631  0.2394  1.0
  S  S5  4  0.2458  0.0000  0.7578  1.0
]