data_[Be2Cr2In4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cr  1.6600  1.4000  0.9400
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.7468]
_cell_length_b [9.2668]
_cell_length_c [6.8660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BeCrIn2F6]
_chemical_formula_sum '[Be2 Cr2 In4 F12]'
_cell_volume [365.6392]
_cell_formula_units_Z [2]
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
[
  Be  Be0  2  0.0000  0.0000  0.7319  1.0
  Cr  Cr1  2  0.0000  0.5000  0.5590  1.0
  In  In2  4  0.0000  0.2076  0.2658  1.0
  F  F3  4  0.0000  0.1425  0.6150  1.0
  F  F4  4  0.2265  0.0000  0.8722  1.0
  F  F5  4  0.2404  0.5000  0.7659  1.0
]