data_[Mn1Cu2Ni6]
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 [P-1]
_cell_length_a [4.3585]
_cell_length_b [4.3668]
_cell_length_c [6.3504]
_cell_angle_alpha [76.7053]
_cell_angle_beta [83.3720]
_cell_angle_gamma [60.0612]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mn(CuNi3)2]
_chemical_formula_sum '[Mn1 Cu2 Ni6]'
_cell_volume [101.9313]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1
  Cu  Cu1  2  0.1623  0.3874  0.8343  1
  Ni  Ni2  2  0.1661  0.9447  0.1696  1
  Ni  Ni3  2  0.1680  0.1653  0.4994  1
  Ni  Ni4  2  0.4961  0.7253  0.8333  1
]