data_[Mg1Mn1V1P2O8F2]
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
  V  1.6300  1.3500  0.7775
  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 [5.2560]
_cell_length_b [5.3633]
_cell_length_c [7.4417]
_cell_angle_alpha [109.8041]
_cell_angle_beta [104.6452]
_cell_angle_gamma [96.9648]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgMnVP2(O4F)2]
_chemical_formula_sum '[Mg1 Mn1 V1 P2 O8 F2]'
_cell_volume [185.9591]
_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  0.9102  0.5575  0.1568  1.0
  Mn  Mn1  1  0.5138  0.5003  0.5080  1.0
  V  V2  1  0.9972  0.9922  0.9853  1.0
  P  P3  1  0.4414  0.1265  0.7583  1.0
  P  P4  1  0.5504  0.8771  0.2395  1.0
  O  O5  1  0.2387  0.7898  0.1389  1.0
  O  O6  1  0.2782  0.1435  0.9053  1.0
  O  O7  1  0.3643  0.3313  0.6607  1.0
  O  O8  1  0.3791  0.8365  0.5976  1.0
  O  O9  1  0.6411  0.1743  0.3855  1.0
  O  O10  1  0.6517  0.6677  0.3318  1.0
  O  O11  1  0.7076  0.8326  0.0821  1.0
  O  O12  1  0.7465  0.2236  0.8927  1.0
  F  F13  1  0.1160  0.3233  0.2476  1.0
  F  F14  1  0.8765  0.6738  0.7439  1.0
]