data_[Sc2Be2Cr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Be  1.5700  1.0500  0.5900
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.7549]
_cell_length_b [3.8476]
_cell_length_c [5.0089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6336]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ScBeCr]
_chemical_formula_sum '[Sc2 Be2 Cr2]'
_cell_volume [86.3114]
_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
[
  Sc  Sc0  2  0.2491  0.2500  0.0456  1
  Be  Be1  2  0.4335  0.2500  0.5897  1
  Cr  Cr2  2  0.1275  0.7500  0.5390  1
]