data_Be2ZnCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.44
_cell_length_b   2.44
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ZnCo
_chemical_formula_sum   'Be2 Zn1 Co1'
_cell_volume   41.8
_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  0.47  0.0  0.7  1.0
  Be  Be1  1  0.47  0.0  0.62  1.0
  Zn  Zn3  1  0.0  0.0  0.66  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0

data_Be2ZnCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.44
_cell_length_b   2.44
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ZnCo
_chemical_formula_sum   'Be2 Zn1 Co1'
_cell_volume   41.8
_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  0.47  0.0  0.62  1.0
  Be  Be1  1  0.47  0.0  0.7  1.0
  Zn  Zn2  1  0.0  0.0  0.66  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

Be Be Zn Co
Be Be Zn Co 0 1 o o o 0 2 + o o 0 2 o o o 0 3 + o + 0 3 o o + 1 2 + o o 1 2 o o o 2 3 o o + 3 3 + + o 3 3 o + o 3 3 + o o 