data_MgBi2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   146.1
_cell_angle_beta   134.13
_cell_angle_gamma   58.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBi2Mo
_chemical_formula_sum   'Mg1 Bi2 Mo1'
_cell_volume   93.74
_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  Mg2  1  0.0  0.0  0.72  1.0
  Bi  Bi0  1  0.0  0.0  0.46  1.0
  Bi  Bi1  1  0.8  0.0  0.69  1.0
  Mo  Mo3  1  0.0  0.41  0.73  1.0

data_MgBi2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   4.82
_cell_length_c   6.18
_cell_angle_alpha   112.94
_cell_angle_beta   106.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBi2Mo
_chemical_formula_sum   'Mg1 Bi2 Mo1'
_cell_volume   93.74
_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  0.72  0.72  1.0
  Bi  Bi1  1  0.0  0.46  0.46  1.0
  Bi  Bi2  1  0.0  0.69  0.88  1.0
  Mo  Mo3  1  0.59  0.33  0.33  1.0

Mg Bi Bi Mo
Mg Bi Bi Mo 0 2 - o o 0 1 o o o 1 3 o o o 