data_BeCd2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   4.42
_cell_angle_alpha   113.84
_cell_angle_beta   113.84
_cell_angle_gamma   33.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCd2Co
_chemical_formula_sum   'Be1 Cd2 Co1'
_cell_volume   60.2
_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  0.4  0.0  0.15  1.0
  Cd  Cd1  1  0.12  0.0  0.08  1.0
  Cd  Cd2  1  0.95  0.0  0.9  1.0
  Co  Co3  1  0.76  0.0  0.87  1.0

data_BeCd2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.42
_cell_length_c   5.23
_cell_angle_alpha   113.84
_cell_angle_beta   106.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCd2Co
_chemical_formula_sum   'Be1 Cd2 Co1'
_cell_volume   60.2
_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  0.15  0.4  1.0
  Cd  Cd1  1  0.0  0.08  0.12  1.0
  Cd  Cd2  1  0.0  0.9  0.95  1.0
  Co  Co3  1  0.0  0.87  0.76  1.0

Be Cd Cd Co