data_[Nd12Co4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1016]
_cell_length_b [9.9049]
_cell_length_c [6.4203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Nd3Co]
_chemical_formula_sum '[Nd12 Co4]'
_cell_volume [451.6103]
_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  0.1699  0.0703  0.6762  1.0
  Nd  Nd1  4  0.0453  0.2500  0.1488  1.0
  Co  Co2  4  0.1161  0.7500  0.4392  1.0
]