data_[Nd8Mo4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [5.8397]
_cell_length_b [5.8397]
_cell_length_c [10.4098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Nd2MoC2]
_chemical_formula_sum '[Nd8 Mo4 C8]'
_cell_volume [354.9920]
_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
[
  Nd  Nd0  8  0.1978  0.8022  0.1555  1.0
  Mo  Mo1  4  0.1752  0.8248  0.5000  1.0
  C  C2  4  0.0000  0.0000  0.3554  1.0
  C  C3  4  0.0000  0.5000  0.0000  1.0
]