data_[La12Sn4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.1753]
_cell_length_b [15.1550]
_cell_length_c [5.1858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La3SnC]
_chemical_formula_sum '[La12 Sn4 C4]'
_cell_volume [563.9104]
_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
[
  La  La0  4  0.0000  0.3668  0.5000  1
  La  La1  4  0.2455  0.0000  0.0000  1
  La  La2  4  0.2500  0.2500  0.0000  1
  Sn  Sn3  4  0.0000  0.1362  0.5000  1
  C  C4  4  0.0000  0.3809  0.0000  1
]