data_Mn3Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03
_cell_length_b   8.03
_cell_length_c   8.03
_cell_angle_alpha   152.54
_cell_angle_beta   152.54
_cell_angle_gamma   39.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Sb
_chemical_formula_sum   'Mn6 Sb2'
_cell_volume   109.75
_cell_formula_units_Z   2
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  0.91  0.0  1.0
  Mn  Mn1  1  0.91  0.0  0.0  1.0
  Mn  Mn2  1  0.91  0.0  0.78  1.0
  Mn  Mn3  1  0.0  0.91  0.78  1.0
  Mn  Mn4  1  0.0  0.0  0.24  1.0
  Mn  Mn5  1  0.0  0.0  0.88  1.0
  Sb  Sb6  1  0.0  0.0  0.46  1.0
  Sb  Sb7  1  0.0  0.0  0.66  1.0

data_Mn3Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   109.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn3Sb
_chemical_formula_sum   'Mn12 Sb4'
_cell_volume   219.5
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.45  0.45  0.91  1.0
  Mn  Mn1  4  0.45  0.45  0.13  1.0
  Mn  Mn2  2  0.0  0.0  0.12  1.0
  Mn  Mn3  2  0.0  0.0  0.76  1.0
  Sb  Sb4  2  0.0  0.0  0.34  1.0
  Sb  Sb5  2  0.0  0.0  0.54  1.0

Mn Mn Mn Mn Mn Mn Sb Sb