data_[Lu3Sc1C2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Sc  1.3600  1.6000  0.8850
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.6283]
_cell_length_b [3.6283]
_cell_length_c [12.7734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Lu3Sc(CSe)2]
_chemical_formula_sum '[Lu3 Sc1 C2 Se2]'
_cell_volume [145.6274]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.6025  1
  Lu  Lu1  1  0.6667  0.3333  0.0944  1
  Lu  Lu2  1  0.6667  0.3333  0.4014  1
  Sc  Sc3  1  0.0000  0.0000  0.9005  1
  Se  Se4  1  0.0000  0.0000  0.2478  1
  C  C5  1  0.3333  0.6667  0.5020  1
  C  C6  1  0.3333  0.6667  0.9950  1
  Se  Se7  1  0.6667  0.3333  0.7565  1
]