data_[Mn1Be1Fe2]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.3776]
_cell_length_b [3.9357]
_cell_length_c [4.5080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2544]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MnBeFe2]
_chemical_formula_sum '[Mn1 Be1 Fe2]'
_cell_volume [41.7463]
_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  Mn0  1  0.4881  0.0000  0.5019  1
  Be  Be1  1  0.2391  0.5000  0.7530  1
  Fe  Fe2  1  0.0129  0.0000  0.9930  1
  Fe  Fe3  1  0.7598  0.5000  0.2521  1
]