data_[Be4In4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.2251]
_cell_length_b [7.6280]
_cell_length_c [12.7085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.0628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BeInCl3]
_chemical_formula_sum '[Be4 In4 Cl12]'
_cell_volume [644.5561]
_cell_formula_units_Z [4]
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  4  0.0627  0.1438  0.5814  1.0
  In  In1  4  0.2662  0.5750  0.7371  1.0
  Cl  Cl2  4  0.0697  0.0924  0.4225  1.0
  Cl  Cl3  4  0.1206  0.6569  0.4548  1.0
  Cl  Cl4  4  0.3368  0.1763  0.7442  1.0
]