data_BaMg6Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   7.49
_cell_length_c   7.49
_cell_angle_alpha   46.8
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg6Co
_chemical_formula_sum   'Ba1 Mg6 Co1'
_cell_volume   203.83
_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
  Ba  Ba0  1  0.49  0.0  0.65  1.0
  Mg  Mg1  1  0.49  0.46  0.12  1.0
  Mg  Mg2  1  0.49  0.54  0.12  1.0
  Mg  Mg3  1  0.0  0.58  0.91  1.0
  Mg  Mg4  1  0.0  0.42  0.91  1.0
  Mg  Mg5  1  0.0  0.0  0.98  1.0
  Mg  Mg6  1  0.0  0.0  0.01  1.0
  Co  Co7  1  0.49  0.0  0.3  1.0

data_BaMg6Co
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.95
_cell_length_b   4.98
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   113.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BaMg6Co
_chemical_formula_sum   'Ba1 Mg6 Co1'
_cell_volume   203.83
_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
  Ba  Ba0  1  0.65  0.0  0.65  1.0
  Mg  Mg1  1  0.01  0.5  0.01  1.0
  Mg  Mg2  1  0.12  0.0  0.66  1.0
  Mg  Mg3  1  0.12  0.0  0.58  1.0
  Mg  Mg4  1  0.91  0.5  0.33  1.0
  Mg  Mg5  1  0.91  0.5  0.48  1.0
  Mg  Mg6  1  0.98  0.5  0.98  1.0
  Co  Co7  1  0.3  0.0  0.3  1.0

Ba Mg Mg Mg Mg Mg Mg Co
Ba Mg Mg Mg Mg Mg Mg Co 0 3 o - o 0 3 + - o 0 5 o o o 0 2 o - + 0 2 o o o 0 1 o - + 0 1 o o o 0 7 o o o 1 2 o o o 1 7 o o o 2 7 o o o 3 4 o o o 5 6 o o + 6 7 o o o 6 7 - o o 