data_Mg6CdC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   59.59
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6CdC
_chemical_formula_sum   'Mg6 Cd1 C1'
_cell_volume   164.26
_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
  Mg  Mg0  1  0.31  0.34  0.8  1.0
  Mg  Mg1  1  0.31  0.66  0.8  1.0
  Mg  Mg2  1  0.31  0.0  0.73  1.0
  Mg  Mg3  1  0.0  0.56  0.72  1.0
  Mg  Mg4  1  0.0  0.44  0.72  1.0
  Mg  Mg5  1  0.0  0.0  0.78  1.0
  Cd  Cd6  1  0.31  0.0  0.71  1.0
  C  C7  1  0.0  0.0  0.33  1.0

data_Mg6CdC
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.62
_cell_length_b   6.38
_cell_length_c   6.42
_cell_angle_alpha   119.8
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6CdC
_chemical_formula_sum   'Mg6 Cd1 C1'
_cell_volume   164.26
_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
  Mg  Mg0  1  -0.0  0.72  0.28  1.0
  Mg  Mg1  1  0.0  0.78  0.78  1.0
  Mg  Mg2  1  0.0  0.72  0.16  1.0
  Mg  Mg3  1  0.69  0.73  0.73  1.0
  Mg  Mg4  1  0.69  0.8  0.14  1.0
  Mg  Mg5  1  0.69  0.8  0.46  1.0
  Cd  Cd6  1  0.69  0.71  0.71  1.0
  C  C7  1  0.0  0.33  0.33  1.0

Mg Mg Mg Mg Mg Mg Cd C