data_[Be1In1F3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.8016]
_cell_length_b [17.4722]
_cell_length_c [6.0941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BeInF3]
_chemical_formula_sum '[Be1 In1 F3]'
_cell_volume [402.3292]
_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
[
  Be  Be0  1  0.9637  0.5000  0.8022  1
  In  In1  1  0.3094  0.5000  0.3720  1
  F  F2  2  0.0191  0.4293  0.6762  1
  F  F3  1  0.8591  0.5000  0.0292  1
]