data_[Mn4Ni4P24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0189]
_cell_length_b [7.8257]
_cell_length_c [7.8209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.5989]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnNiP6]
_chemical_formula_sum '[Mn4 Ni4 P24]'
_cell_volume [480.1980]
_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
[
  Mn  Mn0  4  0.2500  0.2500  0.0000  1
  Ni  Ni1  4  0.2500  0.2500  0.5000  1
  P  P2  8  0.0035  0.1448  0.6516  1
  P  P3  8  0.1442  0.3514  0.1405  1
  P  P4  4  0.1472  0.5000  0.5027  1
  P  P5  4  0.1487  0.5000  0.7944  1
]