data_LaMg6Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   7.13
_cell_length_c   7.13
_cell_angle_alpha   55.37
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg6Bi
_chemical_formula_sum   'La1 Mg6 Bi1'
_cell_volume   212.47
_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
  La  La0  1  0.0  0.0  0.28  1.0
  Mg  Mg1  1  0.0  0.2  0.19  1.0
  Mg  Mg2  1  0.0  0.8  0.19  1.0
  Mg  Mg3  1  0.0  0.0  0.39  1.0
  Mg  Mg4  1  0.54  0.37  0.43  1.0
  Mg  Mg5  1  0.54  0.63  0.43  1.0
  Mg  Mg6  1  0.54  0.0  0.47  1.0
  Bi  Bi7  1  0.54  0.0  0.1  1.0

data_LaMg6Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.08
_cell_length_b   6.62
_cell_length_c   7.13
_cell_angle_alpha   117.68
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg6Bi
_chemical_formula_sum   'La1 Mg6 Bi1'
_cell_volume   212.47
_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
  La  La0  1  0.0  0.28  0.28  1.0
  Mg  Mg1  1  -0.0  0.19  0.98  1.0
  Mg  Mg2  1  0.0  0.39  0.39  1.0
  Mg  Mg3  1  0.0  0.19  0.39  1.0
  Mg  Mg4  1  0.46  0.43  0.06  1.0
  Mg  Mg5  1  0.46  0.43  0.81  1.0
  Mg  Mg6  1  0.46  0.47  0.47  1.0
  Bi  Bi7  1  0.46  0.1  0.1  1.0

La Mg Mg Mg Mg Mg Mg Bi