data_[Ca4Mn4Al16Si4P12H20O80]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3417]
_cell_length_b [11.5862]
_cell_length_c [7.3968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4952]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaMnAl4SiP3(HO4)5]
_chemical_formula_sum '[Ca4 Mn4 Al16 Si4 P12 H20 O80]'
_cell_volume [1362.9881]
_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
[
  Ca  Ca0  4  0.0000  0.2566  0.0000  1
  Mn  Mn1  4  0.2145  0.5000  0.9472  1
  Al  Al2  8  0.1184  0.1290  0.7685  1
  Al  Al3  8  0.1314  0.3668  0.4972  1
  Si  Si4  4  0.0504  0.0000  0.3352  1
  P  P5  8  0.2093  0.2536  0.1954  1
  P  P6  4  0.0341  0.5000  0.7666  1
  H  H7  8  0.0471  0.2074  0.4527  1
  H  H8  4  0.1357  0.0000  0.0547  1
  H  H9  4  0.1793  0.5000  0.3103  1
  H  H10  4  0.1858  0.0000  0.3593  1
  O  O11  8  0.0049  0.1175  0.7525  1
  O  O12  8  0.0222  0.3908  0.2821  1
  O  O13  8  0.0885  0.2412  0.5770  1
  O  O14  8  0.1390  0.2295  0.9884  1
  O  O15  8  0.1625  0.2752  0.3294  1
  O  O16  8  0.2306  0.3526  0.7373  1
  O  O17  8  0.2383  0.1385  0.8129  1
  O  O18  4  0.0933  0.5000  0.6451  1
  O  O19  4  0.0949  0.0000  0.5788  1
  O  O20  4  0.0965  0.5000  0.9825  1
  O  O21  4  0.1281  0.0000  0.2580  1
  O  O22  4  0.1519  0.0000  0.9379  1
  O  O23  4  0.1777  0.5000  0.4401  1
]