data_Be2CoSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   132.65
_cell_angle_beta   132.65
_cell_angle_gamma   69.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CoSb
_chemical_formula_sum   'Be2 Co1 Sb1'
_cell_volume   49.46
_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  0.82  0.87  1.0
  Be  Be1  1  0.82  0.0  0.87  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.73  1.0

data_Be2CoSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   4.53
_cell_angle_alpha   90.0
_cell_angle_beta   124.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2CoSb
_chemical_formula_sum   'Be4 Co2 Sb2'
_cell_volume   98.92
_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  4  0.09  0.09  0.05  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  2  0.0  0.0  0.73  1.0

Be Be Co Sb
Be Be Co Sb 0 2 o + + 0 3 o + o 1 2 + o + 1 3 + o o 2 3 o o - 