data_[Mn2Be1Zn1]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.7234]
_cell_length_b [2.7234]
_cell_length_c [5.8652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Mn2BeZn]
_chemical_formula_sum '[Mn2 Be1 Zn1]'
_cell_volume [43.5006]
_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  0.0000  0.0000  0.9980  1.0
  Mn  Mn1  1  0.5000  0.5000  0.2112  1.0
  Be  Be2  1  0.5000  0.5000  0.7738  1.0
  Zn  Zn3  1  0.0000  0.0000  0.5170  1.0
]