data_[Na4La4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8603]
_cell_length_b [3.7897]
_cell_length_c [12.0851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7963]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaLaC]
_chemical_formula_sum '[Na4 La4 C4]'
_cell_volume [358.1507]
_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
[
  Na  Na0  4  0.1277  0.5000  0.3835  1
  La  La1  4  0.1257  0.0000  0.8834  1
  C  C2  4  0.0805  0.5000  0.0280  1
]