data_[Be3S2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.3497]
_cell_length_b [9.2041]
_cell_length_c [18.1856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [93.5932]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Be3(SCl)2]
_chemical_formula_sum '[Be3 S2 Cl2]'
_cell_volume [559.5824]
_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  0.3466  0.6331  0.5807  1
  Be  Be1  1  0.3948  0.2951  0.4475  1
  Be  Be2  1  0.9224  0.5622  0.4834  1
  S  S3  1  0.4151  0.5003  0.4221  1
  S  S4  1  0.8310  0.5179  0.5973  1
  Cl  Cl5  1  0.2346  0.7905  0.5120  1
  Cl  Cl6  1  0.8729  0.1730  0.4570  1
]