data_Be2CrSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59
_cell_length_b   3.31
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CrSi
_chemical_formula_sum   'Be2 Cr1 Si1'
_cell_volume   41.3
_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  1  0.29  0.66  0.07  1.0
  Be  Be1  1  0.0  0.0  0.14  1.0
  Cr  Cr2  1  0.29  0.66  0.4  1.0
  Si  Si3  1  0.0  0.0  0.61  1.0

data_Be2CrSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   3.31
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CrSi
_chemical_formula_sum   'Be2 Cr1 Si1'
_cell_volume   41.3
_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  1  0.0  0.0  0.14  1.0
  Be  Be1  1  0.29  0.66  0.07  1.0
  Cr  Cr2  1  0.29  0.66  0.4  1.0
  Si  Si3  1  0.0  0.0  0.61  1.0

Be Be Cr Si
Be Be Cr Si 0 1 o + o 0 2 o o o 1 2 o - o 2 3 o + o 