data_[Mg1Mn4O7F1]
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 [4.9783]
_cell_length_b [5.0944]
_cell_length_c [5.9734]
_cell_angle_alpha [79.8921]
_cell_angle_beta [85.0835]
_cell_angle_gamma [83.6200]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgMn4O7F]
_chemical_formula_sum '[Mg1 Mn4 O7 F1]'
_cell_volume [147.8799]
_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  0.2216  0.9912  0.4013  1
  Mn  Mn1  1  0.2620  0.5045  0.3359  1
  Mn  Mn2  1  0.2807  0.9998  0.8505  1
  Mn  Mn3  1  0.7427  0.0032  0.1272  1
  Mn  Mn4  1  0.7431  0.4876  0.6330  1
  O  O5  1  0.0874  0.2614  0.5997  1
  O  O6  1  0.4189  0.7172  0.6225  1
  O  O7  1  0.4308  0.8040  0.1388  1
  O  O8  1  0.5446  0.2265  0.3426  1
  O  O9  1  0.5744  0.2248  0.8683  1
  O  O10  1  0.9274  0.7451  0.3883  1
  O  O11  1  0.9704  0.8151  0.9289  1
  F  F12  1  0.0460  0.2334  0.1321  1
]