data_[Mn4Be4Co4]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0479]
_cell_length_b [3.7732]
_cell_length_c [4.4702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5592]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnBeCo]
_chemical_formula_sum '[Mn4 Be4 Co4]'
_cell_volume [114.4089]
_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
[
  Mn  Mn0  4  0.0036  0.5000  0.2588  1.0
  Be  Be1  4  0.1623  0.0000  0.6398  1.0
  Co  Co2  4  0.1706  0.0000  0.1468  1.0
]