data_BeCo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52
_cell_length_b   2.52
_cell_length_c   9.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCo5
_chemical_formula_sum   'Be1 Co5'
_cell_volume   61.13
_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
  Co  Co1  1  0.26  0.26  0.39  1.0
  Co  Co2  1  0.0  0.0  0.06  1.0
  Co  Co3  1  0.26  0.26  0.81  1.0
  Co  Co4  1  0.0  0.0  0.56  1.0
  Co  Co5  1  0.26  0.26  0.22  1.0

data_BeCo5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   9.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeCo5
_chemical_formula_sum   'Be2 Co10'
_cell_volume   122.27
_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  0.0  0.0  0.0  1.0
  Co  Co1  2  0.0  0.0  0.06  1.0
  Co  Co2  2  0.0  0.0  0.56  1.0
  Co  Co3  2  0.26  0.0  0.22  1.0
  Co  Co4  2  0.26  0.0  0.39  1.0
  Co  Co5  2  0.26  0.0  0.81  1.0

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