data_[Mn15Cr3P18O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.5635]
_cell_length_b [8.5635]
_cell_length_c [21.1511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Mn5Cr(PO4)6]
_chemical_formula_sum '[Mn15 Cr3 P18 O72]'
_cell_volume [1343.2650]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1436  1
  Mn  Mn1  3  0.0000  0.0000  0.3564  1
  Mn  Mn2  3  0.0000  0.0000  0.5006  1
  Mn  Mn3  3  0.0000  0.0000  0.6439  1
  Mn  Mn4  3  0.0000  0.0000  0.9996  1
  Cr  Cr5  3  0.0000  0.0000  0.8578  1
  P  P6  9  0.0001  0.7098  0.7498  1
  P  P7  9  0.0443  0.3777  0.9170  1
  O  O8  9  0.0096  0.1997  0.1891  1
  O  O9  9  0.0100  0.8085  0.6884  1
  O  O10  9  0.0229  0.1867  0.9215  1
  O  O11  9  0.0235  0.8402  0.4202  1
  O  O12  9  0.1409  0.6739  0.4770  1
  O  O13  9  0.1441  0.4714  0.9782  1
  O  O14  9  0.1693  0.6860  0.7454  1
  O  O15  9  0.1718  0.4808  0.2461  1
]