data_[Mg1Mn2P2O8F2]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2030]
_cell_length_b [5.4192]
_cell_length_c [7.4935]
_cell_angle_alpha [107.6061]
_cell_angle_beta [107.9625]
_cell_angle_gamma [97.8991]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgMn2P2(O4F)2]
_chemical_formula_sum '[Mg1 Mn2 P2 O8 F2]'
_cell_volume [185.2704]
_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  0.5573  0.2487  0.8350  1.0
  Mn  Mn1  1  0.0096  0.9890  0.0099  1.0
  Mn  Mn2  1  0.5027  0.5025  0.4886  1.0
  P  P3  1  0.1015  0.4543  0.7630  1.0
  P  P4  1  0.9138  0.5530  0.2394  1.0
  O  O5  1  0.1887  0.7618  0.8659  1.0
  O  O6  1  0.1999  0.2994  0.9031  1.0
  O  O7  1  0.2338  0.6529  0.3486  1.0
  O  O8  1  0.2654  0.3745  0.6196  1.0
  O  O9  1  0.7760  0.3549  0.6574  1.0
  O  O10  1  0.7775  0.6317  0.3959  1.0
  O  O11  1  0.8110  0.6578  0.0663  1.0
  O  O12  1  0.8140  0.2387  0.1206  1.0
  F  F13  1  0.3307  0.1296  0.2497  1.0
  F  F14  1  0.6681  0.9012  0.7609  1.0
]