data_[Lu4Cu4Ge4Te4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9359]
_cell_length_b [13.3827]
_cell_length_c [10.8726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LuCuGeTeSe2]
_chemical_formula_sum '[Lu4 Cu4 Ge4 Te4 Se8]'
_cell_volume [572.6895]
_cell_formula_units_Z [4]
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  0.0000  0.0000  1
  Cu  Cu1  4  0.0000  0.4700  0.2500  1
  Ge  Ge2  4  0.0000  0.1953  0.7500  1
  Te  Te3  4  0.0000  0.1025  0.2500  1
  Se  Se4  8  0.0000  0.3598  0.0684  1
]