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 [C2/c]
_cell_length_a [5.3264]
_cell_length_b [7.8433]
_cell_length_c [6.6699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnPO4]
_chemical_formula_sum '[Mn4 P4 O16]'
_cell_volume [277.1704]
_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  0.0000  0.0000  0.0000  1.0
  P  P1  4  0.0000  0.3441  0.7500  1.0
  O  O2  8  0.0037  0.2381  0.5572  1.0
  O  O3  8  0.2400  0.4615  0.7677  1.0
]