data_BeCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   4.83
_cell_length_c   4.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCo3
_chemical_formula_sum   'Be2 Co6'
_cell_volume   80.52
_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  0.82  1.0
  Be  Be1  1  0.98  0.42  0.39  1.0
  Co  Co2  1  0.98  0.0  0.46  1.0
  Co  Co3  1  0.0  0.42  0.75  1.0
  Co  Co4  1  0.0  0.22  0.71  1.0
  Co  Co5  1  0.0  0.62  0.71  1.0
  Co  Co6  1  0.98  0.63  0.51  1.0
  Co  Co7  1  0.98  0.2  0.51  1.0

data_BeCo3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   4.21
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCo3
_chemical_formula_sum   'Be2 Co6'
_cell_volume   80.52
_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  0.18  0.0  1.0
  Be  Be1  1  0.02  0.61  0.58  1.0
  Co  Co2  1  -0.0  0.29  0.38  1.0
  Co  Co3  1  -0.0  0.29  0.78  1.0
  Co  Co4  1  -0.0  0.25  0.58  1.0
  Co  Co5  1  0.02  0.49  0.37  1.0
  Co  Co6  1  0.02  0.49  0.8  1.0
  Co  Co7  1  0.02  0.54  0.0  1.0

Be Be Co Co Co Co Co Co