data_[Nd12Ga4C4]
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 [Pnma]
_cell_length_a [8.7056]
_cell_length_b [3.7856]
_cell_length_c [15.1728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Nd3GaC]
_chemical_formula_sum '[Nd12 Ga4 C4]'
_cell_volume [500.0342]
_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  4  0.0279  0.2500  0.0998  1.0
  Nd  Nd1  4  0.1670  0.2500  0.4997  1.0
  Nd  Nd2  4  0.2095  0.7500  0.2958  1.0
  Ga  Ga3  4  0.0874  0.7500  0.6707  1.0
  C  C4  4  0.1572  0.2500  0.9429  1.0
]