data_[Ce3Mn3Be6H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mn  1.5500  1.4000  0.6483
  Be  1.5700  1.0500  0.5900
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.0945]
_cell_length_b [4.0945]
_cell_length_c [17.0677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CeMn(BeH4)2]
_chemical_formula_sum '[Ce3 Mn3 Be6 H24]'
_cell_volume [247.7976]
_cell_formula_units_Z [3]
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
[
  Ce  Ce0  3  -0.0000  0.0000  0.5000  1
  Mn  Mn1  3  0.0000  0.0000  0.0000  1
  Be  Be2  6  0.0000  0.0000  0.2945  1
  H  H3  18  0.0045  0.6331  0.7224  1
  H  H4  6  0.0000  0.0000  0.1942  1
]