data_[La4Y4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2955]
_cell_length_b [3.6746]
_cell_length_c [6.3991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaYC]
_chemical_formula_sum '[La4 Y4 C4]'
_cell_volume [308.4467]
_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  0.1388  0.5000  0.3754  1.0
  Y  Y1  4  0.1489  0.0000  0.8840  1.0
  C  C2  4  0.2481  0.5000  0.7583  1.0
]