data_[Be5Cr1Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cr  1.6600  1.4000  0.9400
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.2275]
_cell_length_b [4.3020]
_cell_length_c [4.5092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5271]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Be5CrSi2]
_chemical_formula_sum '[Be5 Cr1 Si2]'
_cell_volume [81.6253]
_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
[
  Be  Be0  2  0.6291  0.2395  0.8905  1
  Be  Be1  1  0.1790  0.0000  0.6521  1
  Be  Be2  1  0.1812  0.5000  0.8767  1
  Be  Be3  1  0.4295  0.5000  0.4370  1
  Cr  Cr4  1  0.1419  0.0000  0.1414  1
  Si  Si5  1  0.6589  0.0000  0.3825  1
  Si  Si6  1  0.9277  0.5000  0.2838  1
]