data_[Mn2Be2Cr2]
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
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [2.8282]
_cell_length_b [2.8282]
_cell_length_c [7.6373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [MnBeCr]
_chemical_formula_sum '[Mn2 Be2 Cr2]'
_cell_volume [61.0895]
_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  2  0.0000  0.0000  0.3311  1.0
  Be  Be1  2  0.0000  0.0000  0.9974  1.0
  Cr  Cr2  2  0.0000  0.0000  0.6715  1.0
]