data_[Na4Ca4Ti4Mn4Si8O32F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0932]
_cell_length_b [9.8686]
_cell_length_c [10.9135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaCaTiMnSi2O8F]
_chemical_formula_sum '[Na4 Ca4 Ti4 Mn4 Si8 O32 F4]'
_cell_volume [727.0105]
_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
[
  Na  Na0  4  0.3369  0.1210  0.4257  1
  Ca  Ca1  4  0.4747  0.6085  0.6981  1
  Ti  Ti2  4  0.0216  0.1014  0.7827  1
  Mn  Mn3  4  0.1358  0.6304  0.0612  1
  Si  Si4  4  0.2098  0.1650  0.1214  1
  Si  Si5  4  0.3264  0.6666  0.3784  1
  O  O6  4  0.0402  0.5265  0.8733  1
  O  O7  4  0.0950  0.2207  0.9784  1
  O  O8  4  0.1614  0.0096  0.1542  1
  O  O9  4  0.1975  0.7458  0.7522  1
  O  O10  4  0.2048  0.2354  0.7418  1
  O  O11  4  0.2584  0.5070  0.3684  1
  O  O12  4  0.3484  0.7372  0.5156  1
  O  O13  4  0.4524  0.1606  0.1426  1
  F  F14  4  0.4011  0.0052  0.6125  1
]