data_[Y2Tm4Lu8Ni4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Lu  1.2700  1.7500  1.0010
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.7079]
_cell_length_b [14.5579]
_cell_length_c [9.0032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [YTm2Lu4(NiS)2]
_chemical_formula_sum '[Y2 Tm4 Lu8 Ni4 S4]'
_cell_volume [485.9873]
_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
[
  Y  Y0  2  0.0000  0.0000  0.4892  1
  Tm  Tm1  4  0.0000  0.1205  0.8939  1
  Lu  Lu2  4  0.0000  0.3143  0.1012  1
  Lu  Lu3  4  0.0000  0.3644  0.7386  1
  Ni  Ni4  4  0.0000  0.2394  0.4034  1
  S  S5  2  0.0000  0.0000  0.1439  1
  S  S6  2  0.0000  0.5000  0.2389  1
]