data_[La4Si4Mo4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Si  1.9000  1.1000  0.5400
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4058]
_cell_length_b [3.9831]
_cell_length_c [7.4974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.5318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Si2Mo2C]
_chemical_formula_sum '[La4 Si4 Mo4 C2]'
_cell_volume [273.6910]
_cell_formula_units_Z [2]
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  0.0773  0.5000  0.3026  1.0
  Si  Si1  4  0.1363  0.0000  0.6823  1.0
  Mo  Mo2  4  0.2038  0.0000  0.0777  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
]