data_[Mn24P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.8706]
_cell_length_b [8.8706]
_cell_length_c [4.4302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Mn3P]
_chemical_formula_sum '[Mn24 P8]'
_cell_volume [348.6018]
_cell_formula_units_Z [8]
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  8  0.0296  0.1478  0.2624  1.0
  Mn  Mn1  8  0.0819  0.6057  0.4659  1.0
  Mn  Mn2  8  0.1730  0.7206  0.0074  1.0
  P  P3  8  0.0400  0.2093  0.7559  1.0
]