data_[Li1V1Cr1P2O8F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  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 [5.1512]
_cell_length_b [5.3431]
_cell_length_c [7.3300]
_cell_angle_alpha [109.6671]
_cell_angle_beta [106.2506]
_cell_angle_gamma [97.2080]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiVCrP2(O4F)2]
_chemical_formula_sum '[Li1 V1 Cr1 P2 O8 F2]'
_cell_volume [176.9226]
_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
[
  Li  Li0  1  0.0792  0.4391  0.8226  1.0
  V  V1  1  0.0105  0.0110  0.0060  1.0
  Cr  Cr2  1  0.5027  0.5067  0.4973  1.0
  P  P3  1  0.4439  0.1225  0.7548  1.0
  P  P4  1  0.5760  0.8880  0.2449  1.0
  O  O5  1  0.2650  0.7958  0.0971  1.0
  O  O6  1  0.2790  0.1527  0.9108  1.0
  O  O7  1  0.3505  0.8266  0.5997  1.0
  O  O8  1  0.3534  0.3346  0.6653  1.0
  O  O9  1  0.6505  0.6768  0.3337  1.0
  O  O10  1  0.6538  0.1801  0.4063  1.0
  O  O11  1  0.7505  0.8819  0.0965  1.0
  O  O12  1  0.7639  0.2123  0.8749  1.0
  F  F13  1  0.1535  0.3308  0.2608  1.0
  F  F14  1  0.8629  0.6812  0.7402  1.0
]