data_MnBi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   132.11
_cell_angle_beta   132.11
_cell_angle_gamma   70.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBi2Sb
_chemical_formula_sum   'Mn1 Bi2 Sb1'
_cell_volume   109.32
_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
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.81  1.0
  Bi  Bi1  1  0.0  0.38  0.4  1.0
  Sb  Sb3  1  0.38  0.0  0.4  1.0

data_MnBi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   5.87
_cell_angle_alpha   113.94
_cell_angle_beta   113.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBi2Sb
_chemical_formula_sum   'Mn1 Bi2 Sb1'
_cell_volume   109.32
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.19  0.0  0.19  1.0
  Bi  Bi2  1  0.98  0.38  0.98  1.0
  Sb  Sb3  1  0.6  0.0  0.98  1.0

Mn Bi Bi Sb
Mn Bi Bi Sb 0 1 o o - 0 2 o o o 0 3 o o o 