data_Be2CrSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   4.35
_cell_angle_alpha   135.7
_cell_angle_beta   135.7
_cell_angle_gamma   64.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CrSi
_chemical_formula_sum   'Be2 Cr1 Si1'
_cell_volume   39.54
_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  0.64  0.84  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.64  0.0  0.84  1.0
  Si  Si3  1  0.0  0.0  0.68  1.0

data_Be2CrSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   4.35
_cell_angle_alpha   112.15
_cell_angle_beta   112.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CrSi
_chemical_formula_sum   'Be2 Cr1 Si1'
_cell_volume   39.54
_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  0.0  1.0
  Be  Be1  1  0.8  0.64  0.8  1.0
  Cr  Cr2  1  0.16  0.0  0.8  1.0
  Si  Si3  1  0.32  0.0  0.32  1.0

Be Be Cr Si