data_[Mn1V1P1F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  V  1.6300  1.3500  0.7775
  P  2.1900  1.0000  0.5500
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.8605]
_cell_length_b [2.8601]
_cell_length_c [9.1906]
_cell_angle_alpha [90.8891]
_cell_angle_beta [91.1083]
_cell_angle_gamma [117.2347]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnVPF]
_chemical_formula_sum '[Mn1 V1 P1 F1]'
_cell_volume [66.8158]
_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
[
  Mn  Mn0  1  0.6090  0.9838  0.8355  1
  V  V1  1  0.9750  0.5666  0.5870  1
  P  P2  1  0.2962  0.3429  0.0555  1
  F  F3  1  0.6192  0.8944  0.4501  1
]