data_BaMg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67
_cell_length_b   6.67
_cell_length_c   7.97
_cell_angle_alpha   108.01
_cell_angle_beta   108.01
_cell_angle_gamma   30.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg5
_chemical_formula_sum   'Ba1 Mg5'
_cell_volume   170.83
_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  0.09  0.0  0.18  1.0
  Mg  Mg1  1  0.6  0.0  0.62  1.0
  Mg  Mg2  1  0.54  0.0  0.34  1.0
  Mg  Mg3  1  0.35  0.0  0.28  1.0
  Mg  Mg4  1  0.46  0.0  0.48  1.0
  Mg  Mg5  1  0.21  0.0  1.0  1.0

data_BaMg5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   6.67
_cell_length_c   7.97
_cell_angle_alpha   108.01
_cell_angle_beta   90.0
_cell_angle_gamma   105.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg5
_chemical_formula_sum   'Ba1 Mg5'
_cell_volume   170.83
_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  0.0  0.91  0.82  1.0
  Mg  Mg1  1  0.0  0.4  0.38  1.0
  Mg  Mg2  1  0.0  0.46  0.66  1.0
  Mg  Mg3  1  0.0  0.54  0.52  1.0
  Mg  Mg4  1  0.0  0.65  0.72  1.0
  Mg  Mg5  1  0.0  0.79  0.0  1.0

Ba Mg Mg Mg Mg Mg