data_MgBi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   3.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBi2P
_chemical_formula_sum   'Mg1 Bi2 P1'
_cell_volume   98.28
_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  0.0  1.0
  Bi  Bi0  1  0.81  0.16  0.85  1.0
  Bi  Bi1  1  0.81  0.84  0.85  1.0
  P  P3  1  0.61  0.0  0.0  1.0

data_MgBi2P
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.7
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MgBi2P
_chemical_formula_sum   'Mg1 Bi2 P1'
_cell_volume   98.29
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  2  0.85  0.16  0.81  1.0
  P  P2  1  0.0  0.0  0.61  1.0

Mg Bi Bi P
Mg Bi Bi P 0 2 - - - 0 1 - o - 1 3 o o + 1 2 o - o 2 3 o + + 