data_BeCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   5.98
_cell_angle_alpha   111.33
_cell_angle_beta   111.33
_cell_angle_gamma   34.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCo2
_chemical_formula_sum   'Be2 Co4'
_cell_volume   57.83
_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  0.68  0.0  0.03  1.0
  Be  Be1  1  0.28  0.0  0.5  1.0
  Co  Co2  1  0.99  0.0  0.22  1.0
  Co  Co3  1  0.63  0.0  0.21  1.0
  Co  Co4  1  0.33  0.0  0.32  1.0
  Co  Co5  1  0.97  0.0  0.31  1.0

data_BeCo2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.54
_cell_length_b   4.31
_cell_length_c   5.97
_cell_angle_alpha   69.04
_cell_angle_beta   77.71
_cell_angle_gamma   72.87
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BeCo2
_chemical_formula_sum   'Be2 Co4'
_cell_volume   57.83
_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  0.0  0.44  0.76  1.0
  Co  Co1  2  0.0  0.21  0.94  1.0
  Co  Co2  2  0.0  0.45  0.05  1.0

Be Be Co Co Co Co