data_[La2Sm2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3731]
_cell_length_b [3.6793]
_cell_length_c [6.6831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2322]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaSmC]
_chemical_formula_sum '[La2 Sm2 C2]'
_cell_volume [156.7065]
_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  2  0.4143  0.7500  0.2837  1.0
  Sm  Sm1  2  0.0829  0.7500  0.7074  1.0
  C  C2  2  0.2437  0.2500  0.5007  1.0
]