data_BeCd2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   150.08
_cell_angle_beta   128.05
_cell_angle_gamma   61.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCd2Mo
_chemical_formula_sum   'Be1 Cd2 Mo1'
_cell_volume   66.99
_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  0.08  1.0
  Cd  Cd1  1  0.0  0.44  0.54  1.0
  Cd  Cd2  1  0.0  0.0  0.42  1.0
  Mo  Mo3  1  0.0  0.44  0.32  1.0

data_BeCd2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.87
_cell_length_c   5.56
_cell_angle_alpha   115.98
_cell_angle_beta   104.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCd2Mo
_chemical_formula_sum   'Be1 Cd2 Mo1'
_cell_volume   66.99
_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  0.08  0.08  1.0
  Cd  Cd1  1  0.0  0.42  0.42  1.0
  Cd  Cd2  1  0.56  0.11  0.11  1.0
  Mo  Mo3  1  0.56  0.89  0.89  1.0

Be Cd Cd Mo