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 [P-1]
_cell_length_a [5.1467]
_cell_length_b [5.4285]
_cell_length_c [7.3305]
_cell_angle_alpha [109.5079]
_cell_angle_beta [106.7598]
_cell_angle_gamma [91.4218]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MgMn2P2(O4F)2]
_chemical_formula_sum '[Mg1 Mn2 P2 O8 F2]'
_cell_volume [183.1769]
_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  0.5000  0.0000  0.5000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  1  0.5000  0.5000  0.5000  1.0
  P  P3  2  0.1040  0.4068  0.7548  1.0
  O  O4  2  0.1498  0.2534  0.8993  1.0
  O  O5  2  0.1600  0.7086  0.8524  1.0
  O  O6  2  0.1951  0.6836  0.4012  1.0
  O  O7  2  0.3093  0.3232  0.6294  1.0
  F  F8  2  0.3631  0.1163  0.2672  1.0
]