data_[Mn2Cu2Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.3258]
_cell_length_b [5.1026]
_cell_length_c [6.1903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnCuNi4]
_chemical_formula_sum '[Mn2 Cu2 Ni8]'
_cell_volume [136.5854]
_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
[
  Mn  Mn0  2  0.1725  0.7500  0.3338  1
  Cu  Cu1  2  0.1724  0.2500  0.3350  1
  Ni  Ni2  4  0.3308  0.5016  0.6719  1
  Ni  Ni3  2  0.0000  0.0000  0.0000  1
  Ni  Ni4  2  0.4995  0.7500  0.9979  1
]