data_[Mn4P4O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.3051]
_cell_length_b [4.9171]
_cell_length_c [9.1180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [MnPO4]
_chemical_formula_sum '[Mn4 P4 O16]'
_cell_volume [375.1454]
_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  0.4940  0.2838  0.2424  1.0
  P  P1  4  0.3759  0.2236  0.8739  1.0
  O  O2  4  0.0113  0.1879  0.5414  1.0
  O  O3  4  0.2155  0.7069  0.3787  1.0
  O  O4  4  0.3857  0.0869  0.3472  1.0
  O  O5  4  0.3957  0.3695  0.7333  1.0
]