data_[Nd12Ga4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5378]
_cell_length_b [8.4231]
_cell_length_c [10.9555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Ga2C]
_chemical_formula_sum '[Nd12 Ga4 C2]'
_cell_volume [515.3005]
_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
[
  Nd  Nd0  4  0.1191  0.1453  0.4479  1.0
  Nd  Nd1  4  0.3145  0.7166  0.4422  1.0
  Nd  Nd2  4  0.3536  0.0390  0.2417  1.0
  Ga  Ga3  4  0.1965  0.1136  0.7664  1.0
  C  C4  2  0.5000  0.0000  0.5000  1.0
]