data_BeCrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.08
_cell_length_c   2.58
_cell_angle_alpha   82.68
_cell_angle_beta   73.33
_cell_angle_gamma   23.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCrOs
_chemical_formula_sum   'Be1 Cr1 Os1'
_cell_volume   36.18
_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  0.41  0.16  0.02  1.0
  Cr  Cr1  1  0.41  0.16  0.82  1.0
  Os  Os2  1  0.41  0.16  0.99  1.0

data_BeCrOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.83
_cell_length_b   11.84
_cell_length_c   2.58
_cell_angle_alpha   90.0
_cell_angle_beta   123.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeCrOs
_chemical_formula_sum   'Be2 Cr2 Os2'
_cell_volume   72.36
_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  0.4  0.0  0.56  1.0
  Cr  Cr1  2  0.11  0.5  0.77  1.0
  Os  Os2  2  0.43  0.0  0.59  1.0

Be Cr Os