data_MnBeFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.71
_cell_length_c   3.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeFe2
_chemical_formula_sum   'Mn1 Be1 Fe2'
_cell_volume   41.71
_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  0.51  0.86  0.0  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.86  0.87  1.0
  Fe  Fe2  1  0.51  0.0  0.87  1.0

data_MnBeFe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.71
_cell_length_b   3.01
_cell_length_c   3.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MnBeFe2
_chemical_formula_sum   'Mn1 Be1 Fe2'
_cell_volume   41.71
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.86  0.0  -0.0  1.0
  Be  Be1  1  0.0  0.5  0.0  1.0
  Fe  Fe2  1  0.0  0.0  0.87  1.0
  Fe  Fe3  1  0.86  0.5  0.87  1.0

Mn Be Fe Fe
Mn Be Fe Fe 0 3 o + - 1 2 o - - 