data_[Sr1Ca2V1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  V  1.6300  1.3500  0.7775
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.0846]
_cell_length_b [7.6336]
_cell_length_c [5.5136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrCa2VF8]
_chemical_formula_sum '[Sr1 Ca2 V1 F8]'
_cell_volume [171.5961]
_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
[
  Sr  Sr0  1  0.0000  0.5000  0.0000  1.0
  Ca  Ca1  2  0.5000  0.2377  0.5000  1.0
  V  V2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.0366  0.2278  0.7506  1.0
  F  F4  2  0.4379  0.0000  0.2419  1.0
  F  F5  2  0.4996  0.5000  0.7376  1.0
]