data_[Be4Rh4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Rh  2.2800  1.3500  0.7450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2416]
_cell_length_b [2.9269]
_cell_length_c [10.2362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeRhCl]
_chemical_formula_sum '[Be4 Rh4 Cl4]'
_cell_volume [226.2725]
_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  0.2592  0.5000  0.8096  1
  Be  Be1  2  0.4488  0.5000  0.6592  1
  Rh  Rh2  2  0.2135  0.0000  0.6197  1
  Rh  Rh3  2  0.4310  0.0000  0.4797  1
  Cl  Cl4  2  0.2254  0.5000  0.3034  1
  Cl  Cl5  2  0.2916  0.0000  0.9566  1
]