data_[Nd2Mn2Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [7.1276]
_cell_length_b [3.7869]
_cell_length_c [6.6233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [NdMnNi4]
_chemical_formula_sum '[Nd2 Mn2 Ni8]'
_cell_volume [178.7770]
_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  2  0.2500  0.0000  0.3601  1
  Mn  Mn1  2  0.2500  0.0000  0.7827  1
  Ni  Ni2  4  0.0509  0.5000  0.7222  1
  Ni  Ni3  2  0.0000  0.0000  0.0000  1
  Ni  Ni4  2  0.2500  0.5000  0.0314  1
]