data_[Lu14Pt4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Pt  2.2800  1.3500  0.8050
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.7973]
_cell_length_b [14.5832]
_cell_length_c [9.0697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Lu7(PtS)2]
_chemical_formula_sum '[Lu14 Pt4 S4]'
_cell_volume [502.2526]
_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
[
  Lu  Lu0  4  0.0000  0.1324  0.2599  1
  Lu  Lu1  4  0.0000  0.1799  0.6315  1
  Lu  Lu2  4  0.0000  0.3810  0.4184  1
  Lu  Lu3  2  0.0000  0.5000  0.0111  1
  Pt  Pt4  4  0.0000  0.2612  0.9283  1
  S  S5  2  0.0000  0.0000  0.7637  1
  S  S6  2  0.0000  0.5000  0.6623  1
]