data_Mg6VC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   6.55
_cell_length_c   6.55
_cell_angle_alpha   52.34
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6VC
_chemical_formula_sum   'Mg6 V1 C1'
_cell_volume   154.08
_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  0.41  0.2  1.0
  Mg  Mg1  1  0.0  0.59  0.2  1.0
  Mg  Mg2  1  0.27  0.39  0.99  1.0
  Mg  Mg3  1  0.27  0.61  0.99  1.0
  Mg  Mg4  1  0.27  0.0  0.85  1.0
  Mg  Mg5  1  0.27  0.0  0.64  1.0
  V  V6  1  0.0  0.0  0.13  1.0
  C  C7  1  0.0  0.0  0.03  1.0

data_Mg6VC
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.54
_cell_length_b   5.78
_cell_length_c   6.55
_cell_angle_alpha   116.17
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6VC
_chemical_formula_sum   'Mg6 V1 C1'
_cell_volume   154.08
_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  0.2  0.79  1.0
  Mg  Mg1  1  0.0  0.2  0.61  1.0
  Mg  Mg2  1  0.73  0.64  0.64  1.0
  Mg  Mg3  1  0.73  0.85  0.85  1.0
  Mg  Mg4  1  0.73  0.99  0.38  1.0
  Mg  Mg5  1  0.73  0.99  0.6  1.0
  V  V6  1  0.0  0.13  0.13  1.0
  C  C7  1  0.0  0.03  0.03  1.0

Mg Mg Mg Mg Mg Mg V C