data_[Mn2Be2Ni2]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.8141]
_cell_length_b [3.8141]
_cell_length_c [4.7801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [MnBeNi]
_chemical_formula_sum '[Mn2 Be2 Ni2]'
_cell_volume [60.2220]
_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  1  0.0000  0.0000  0.1511  1
  Mn  Mn1  1  0.6667  0.3333  0.0054  1
  Be  Be2  1  0.0000  0.0000  0.6532  1
  Be  Be3  1  0.3333  0.6667  0.3268  1
  Ni  Ni4  1  0.3333  0.6667  0.8027  1
  Ni  Ni5  1  0.6667  0.3333  0.4964  1
]