data_BeZnCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   145.95
_cell_angle_beta   129.41
_cell_angle_gamma   62.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnCo2
_chemical_formula_sum   'Be1 Zn1 Co2'
_cell_volume   42.57
_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  0.02  1.0
  Zn  Zn3  1  0.0  0.98  0.09  1.0
  Co  Co1  1  0.0  0.98  0.85  1.0
  Co  Co2  1  0.0  0.0  0.93  1.0

data_BeZnCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   3.96
_cell_length_c   4.63
_cell_angle_alpha   115.29
_cell_angle_beta   107.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnCo2
_chemical_formula_sum   'Be1 Zn1 Co2'
_cell_volume   42.57
_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  0.02  0.02  1.0
  Zn  Zn1  1  0.02  0.11  0.11  1.0
  Co  Co2  1  0.0  0.93  0.93  1.0
  Co  Co3  1  0.02  0.88  0.88  1.0

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