data_[La2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.8965]
_cell_length_b [4.1549]
_cell_length_c [5.5010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4825]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LaC]
_chemical_formula_sum '[La2 C2]'
_cell_volume [87.2758]
_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  1  0.4497  0.0000  0.7951  1
  La  La1  1  0.8051  0.5000  0.3119  1
  C  C2  1  0.2159  0.5000  0.0055  1
  C  C3  1  0.9509  0.5000  0.8057  1
]