data_PmSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   6.28
_cell_angle_alpha   137.62
_cell_angle_beta   137.62
_cell_angle_gamma   61.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PmSb3
_chemical_formula_sum   'Pm1 Sb3'
_cell_volume   111.05
_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
  Pm  Pm0  1  0.0  0.0  0.39  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.27  0.0  0.7  1.0
  Sb  Sb3  1  0.0  0.27  0.7  1.0

data_PmSb3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   120.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PmSb3
_chemical_formula_sum   'Pm2 Sb6'
_cell_volume   222.11
_cell_formula_units_Z   2
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
  Pm  Pm0  2  0.11  0.5  0.61  1.0
  Sb  Sb1  4  0.44  0.13  0.57  1.0
  Sb  Sb2  2  0.0  0.0  0.0  1.0

Pm Sb Sb Sb