data_[Mn10Be2]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5426]
_cell_length_b [2.7583]
_cell_length_c [5.5596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6932]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn5Be]
_chemical_formula_sum '[Mn10 Be2]'
_cell_volume [123.3407]
_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  4  0.1645  0.5000  0.8435  1.0
  Mn  Mn1  4  0.1707  0.5000  0.3278  1.0
  Mn  Mn2  2  0.0000  0.0000  0.5000  1.0
  Be  Be3  2  0.0000  0.0000  0.0000  1.0
]