data_Be2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.15
_cell_length_b   8.15
_cell_length_c   8.15
_cell_angle_alpha   161.46
_cell_angle_beta   161.16
_cell_angle_gamma   26.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2Co
_chemical_formula_sum   'Be4 Co2'
_cell_volume   55.63
_cell_formula_units_Z   2
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  0.09  1.0
  Be  Be1  1  0.31  0.33  0.85  1.0
  Be  Be2  1  0.0  0.0  0.85  1.0
  Be  Be3  1  0.31  0.33  0.09  1.0
  Co  Co4  1  0.31  0.67  0.95  1.0
  Co  Co5  1  0.0  0.67  0.98  1.0

data_Be2Co
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.63
_cell_length_b   2.67
_cell_length_c   8.15
_cell_angle_alpha   99.42
_cell_angle_beta   99.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Be2Co
_chemical_formula_sum   'Be4 Co2'
_cell_volume   55.63
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
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  0.04  0.04  0.2  1.0
  Be  Be1  2  0.28  0.28  0.44  1.0
  Co  Co2  2  0.17  0.51  0.67  1.0

Be Be Be Be Co Co
Be Be Be Be Co Co 0 4 o - - 0 4 o o o 0 5 o - - 0 2 o o - 0 1 o o o 1 5 o - - 1 5 o o o 1 4 o o o 1 3 o o + 2 4 o - o 3 5 o o - 