data_[Be4Co4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Co  1.8800  1.3500  0.7683
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [4.8298]
_cell_length_b [5.0450]
_cell_length_c [8.2442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3914]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeCoCl]
_chemical_formula_sum '[Be4 Co4 Cl4]'
_cell_volume [198.1897]
_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  2  0.1637  0.0000  0.7478  1
  Be  Be1  2  0.2051  0.5000  0.7527  1
  Co  Co2  4  0.4873  0.2389  0.9246  1
  Cl  Cl3  2  0.2592  0.0000  0.1200  1
  Cl  Cl4  2  0.3737  0.5000  0.5347  1
]