data_[Y4Mn40Be8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  Be  1.5700  1.0500  0.5900
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.2350]
_cell_length_b [9.3591]
_cell_length_c [7.9390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Y(Mn5Be)2]
_chemical_formula_sum '[Y4 Mn40 Be8]'
_cell_volume [611.8770]
_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
[
  Y  Y0  4  0.0000  0.1254  0.7500  1
  Mn  Mn1  8  0.0000  0.1703  0.0991  1
  Mn  Mn2  8  0.0000  0.3942  0.5688  1
  Mn  Mn3  8  0.1329  0.3810  0.2500  1
  Mn  Mn4  8  0.2252  0.0000  0.0000  1
  Mn  Mn5  8  0.2462  0.3724  0.7500  1
  Be  Be6  8  0.2500  0.2500  0.0000  1
]