data_HfMg6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   6.65
_cell_length_c   6.65
_cell_angle_alpha   48.14
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg6C
_chemical_formula_sum   'Hf1 Mg6 C1'
_cell_volume   155.43
_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
  Hf  Hf0  1  0.0  0.0  0.34  1.0
  Mg  Mg1  1  0.0  0.63  0.45  1.0
  Mg  Mg2  1  0.0  0.37  0.45  1.0
  Mg  Mg3  1  0.36  0.64  0.03  1.0
  Mg  Mg4  1  0.36  0.36  0.03  1.0
  Mg  Mg5  1  0.36  0.0  0.59  1.0
  Mg  Mg6  1  0.36  0.0  0.22  1.0
  C  C7  1  0.0  0.0  0.45  1.0

data_HfMg6C
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.73
_cell_length_b   5.42
_cell_length_c   6.65
_cell_angle_alpha   114.07
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg6C
_chemical_formula_sum   'Hf1 Mg6 C1'
_cell_volume   155.43
_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
  Hf  Hf0  1  0.0  0.34  0.34  1.0
  Mg  Mg1  1  -0.0  0.45  0.08  1.0
  Mg  Mg2  1  0.0  0.45  0.82  1.0
  Mg  Mg3  1  0.64  0.03  0.39  1.0
  Mg  Mg4  1  0.64  0.03  0.66  1.0
  Mg  Mg5  1  0.64  0.22  0.22  1.0
  Mg  Mg6  1  0.64  0.59  0.59  1.0
  C  C7  1  0.0  0.45  0.45  1.0

Hf Mg Mg Mg Mg Mg Mg C