data_[Mn2Be2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Be  1.5700  1.0500  0.5900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.5518]
_cell_length_b [3.2045]
_cell_length_c [8.3672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnBeCl2]
_chemical_formula_sum '[Mn2 Be2 Cl4]'
_cell_volume [144.3808]
_cell_formula_units_Z [2]
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
[
  Mn  Mn0  2  0.4650  0.5000  0.5297  1
  Be  Be1  2  0.3776  0.0000  0.7456  1
  Cl  Cl2  2  0.0597  0.5000  0.3334  1
  Cl  Cl3  2  0.0977  0.0000  0.8912  1
]