data_BeCdCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   134.12
_cell_angle_beta   134.12
_cell_angle_gamma   66.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCdCo2
_chemical_formula_sum   'Be1 Cd1 Co2'
_cell_volume   50.16
_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
  Cd  Cd1  1  0.0  0.0  0.86  1.0
  Co  Co2  1  0.0  0.8  0.93  1.0
  Co  Co3  1  0.8  0.0  0.93  1.0

data_BeCdCo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   123.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeCdCo2
_chemical_formula_sum   'Be2 Cd2 Co4'
_cell_volume   100.31
_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
  Cd  Cd1  2  0.0  0.0  0.86  1.0
  Co  Co2  4  0.1  0.1  0.13  1.0

Be Cd Co Co
Be Cd Co Co 0 3 - o - 0 2 o - - 0 1 o o - 