data_[La24C8Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.1371]
_cell_length_b [13.7280]
_cell_length_c [6.4099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La3CSe]
_chemical_formula_sum '[La24 C8 Se8]'
_cell_volume [1063.6013]
_cell_formula_units_Z [8]
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
[
  La  La0  8  0.0988  0.3608  0.5706  1
  La  La1  8  0.1231  0.0726  0.6045  1
  La  La2  8  0.1245  0.1935  0.0923  1
  Se  Se3  8  0.1604  0.4165  0.0480  1
  C  C4  4  0.0000  0.0667  0.2500  1
  C  C5  4  0.0000  0.2224  0.7500  1
]