data_[Mn4Ni16P8]
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 [Ima2]
_cell_length_a [5.3064]
_cell_length_b [11.0701]
_cell_length_c [5.9244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Mn(Ni2P)2]
_chemical_formula_sum '[Mn4 Ni16 P8]'
_cell_volume [348.0172]
_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  0.1133  0.1171  1
  Ni  Ni1  8  0.0094  0.1867  0.6357  1
  Ni  Ni2  4  0.2500  0.5039  0.9893  1
  Ni  Ni3  4  0.2500  0.6276  0.4874  1
  P  P4  4  0.0000  0.0000  0.8005  1
  P  P5  4  0.2500  0.6827  0.8342  1
]