data_BeAlCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   147.28
_cell_angle_beta   147.28
_cell_angle_gamma   46.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAlCr
_chemical_formula_sum   'Be1 Al1 Cr1'
_cell_volume   35.32
_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  Be1  1  0.0  0.0  0.94  1.0
  Al  Al0  1  0.0  0.0  0.04  1.0
  Cr  Cr2  1  0.0  0.0  0.19  1.0

data_BeAlCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   113.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeAlCr
_chemical_formula_sum   'Be2 Al2 Cr2'
_cell_volume   70.63
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.44  0.5  0.94  1.0
  Al  Al1  2  0.04  0.0  0.04  1.0
  Cr  Cr2  2  0.19  0.0  0.19  1.0

Be Al Cr