data_[Mn4Be2Cr4]
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 [C2/m]
_cell_length_a [6.2188]
_cell_length_b [4.8187]
_cell_length_c [4.2833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3350]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2BeCr2]
_chemical_formula_sum '[Mn4 Be2 Cr4]'
_cell_volume [114.0209]
_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  4  0.1950  0.0000  0.1507  1
  Be  Be1  2  0.0000  0.5000  0.0000  1
  Cr  Cr2  4  0.0000  0.2251  0.5000  1
]