data_MnBe2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   3.85
_cell_angle_alpha   124.09
_cell_angle_beta   124.09
_cell_angle_gamma   83.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBe2Fe
_chemical_formula_sum   'Mn1 Be2 Fe1'
_cell_volume   37.67
_cell_formula_units_Z   1
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  Mn3  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.81  0.0  0.44  1.0
  Be  Be1  1  0.0  0.81  0.44  1.0
  Fe  Fe2  1  0.0  0.0  0.89  1.0

data_MnBe2Fe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   3.85
_cell_angle_alpha   90.0
_cell_angle_beta   131.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnBe2Fe
_chemical_formula_sum   'Mn2 Be4 Fe2'
_cell_volume   75.33
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Be  Be1  4  0.46  0.1  0.36  1.0
  Fe  Fe2  2  0.11  0.0  0.11  1.0

Mn Be Be Fe