data_[Mg1Mn6O7F5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8767]
_cell_length_b [5.9712]
_cell_length_c [7.9539]
_cell_angle_alpha [106.8203]
_cell_angle_beta [97.7758]
_cell_angle_gamma [114.3843]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgMn6O7F5]
_chemical_formula_sum '[Mg1 Mn6 O7 F5]'
_cell_volume [232.7145]
_cell_formula_units_Z [1]
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
[
  Mg  Mg0  1  0.0009  0.9930  0.5026  1
  Mn  Mn1  1  0.0008  0.4945  0.5030  1
  Mn  Mn2  1  0.0255  0.0280  0.0058  1
  Mn  Mn3  1  0.2925  0.5632  0.8795  1
  Mn  Mn4  1  0.3608  0.9688  0.3094  1
  Mn  Mn5  1  0.6417  0.0188  0.6989  1
  Mn  Mn6  1  0.6865  0.4231  0.1279  1
  O  O7  1  0.0411  0.6919  0.3347  1
  O  O8  1  0.2310  0.8501  0.0513  1
  O  O9  1  0.3173  0.3341  0.0094  1
  O  O10  1  0.3482  0.7066  0.6854  1
  O  O11  1  0.6533  0.2834  0.3292  1
  O  O12  1  0.7898  0.1706  0.9558  1
  O  O13  1  0.9575  0.2928  0.6677  1
  F  F14  1  0.0825  0.1666  0.3207  1
  F  F15  1  0.3978  0.1509  0.5888  1
  F  F16  1  0.6023  0.8333  0.4183  1
  F  F17  1  0.7104  0.7048  0.9959  1
  F  F18  1  0.9193  0.8255  0.6873  1
]