data_BeCr2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   4.48
_cell_angle_alpha   140.98
_cell_angle_beta   129.3
_cell_angle_gamma   65.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr2Si
_chemical_formula_sum   'Be1 Cr2 Si1'
_cell_volume   43.31
_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
  Cr  Cr1  1  0.5  0.0  0.85  1.0
  Cr  Cr2  1  0.0  0.92  0.92  1.0
  Si  Si3  1  0.0  0.0  0.77  1.0

data_BeCr2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   3.84
_cell_length_c   4.48
_cell_angle_alpha   115.35
_cell_angle_beta   109.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr2Si
_chemical_formula_sum   'Be1 Cr2 Si1'
_cell_volume   43.31
_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
  Cr  Cr1  1  0.08  0.0  0.0  1.0
  Cr  Cr2  1  0.65  0.15  0.65  1.0
  Si  Si3  1  0.23  0.23  0.23  1.0

Be Cr Cr Si