data_NaMg6Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   6.14
_cell_length_c   6.14
_cell_angle_alpha   60.53
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg6Co
_chemical_formula_sum   'Na1 Mg6 Co1'
_cell_volume   164.11
_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
  Na  Na0  1  0.0  0.0  0.07  1.0
  Mg  Mg1  1  0.0  0.45  0.42  1.0
  Mg  Mg2  1  0.0  0.55  0.42  1.0
  Mg  Mg3  1  0.5  0.42  0.2  1.0
  Mg  Mg4  1  0.5  0.58  0.2  1.0
  Mg  Mg5  1  0.5  0.0  0.5  1.0
  Mg  Mg6  1  0.5  0.0  0.85  1.0
  Co  Co7  1  0.0  0.0  0.76  1.0

data_NaMg6Co
_symmetry_space_group_name_H-M   Pm
_cell_length_a   6.14
_cell_length_b   5.0
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   119.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NaMg6Co
_chemical_formula_sum   'Na1 Mg6 Co1'
_cell_volume   164.11
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Na  Na0  1  0.0  0.0  0.93  1.0
  Mg  Mg1  1  0.0  0.5  0.15  1.0
  Mg  Mg2  1  0.0  0.5  0.5  1.0
  Mg  Mg3  1  0.42  0.5  0.8  1.0
  Mg  Mg4  1  0.45  0.0  0.58  1.0
  Mg  Mg5  1  0.55  0.0  0.58  1.0
  Mg  Mg6  1  0.58  0.5  0.8  1.0
  Co  Co7  1  0.0  0.0  0.24  1.0

Na Mg Mg Mg Mg Mg Mg Co