data_Sn4As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   6.63
_cell_angle_alpha   133.53
_cell_angle_beta   133.53
_cell_angle_gamma   67.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn4As
_chemical_formula_sum   'Sn4 As1'
_cell_volume   150.66
_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
  Sn  Sn1  1  0.62  0.0  0.75  1.0
  Sn  Sn2  1  0.0  0.62  0.75  1.0
  Sn  Sn3  1  0.0  0.0  0.88  1.0
  Sn  Sn4  1  0.0  0.0  0.13  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Sn4As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.4
_cell_length_b   7.4
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   123.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sn4As
_chemical_formula_sum   'Sn8 As2'
_cell_volume   301.32
_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
  Sn  Sn0  4  0.19  0.19  0.14  1.0
  Sn  Sn1  2  0.0  0.0  0.13  1.0
  Sn  Sn2  2  0.0  0.0  0.88  1.0
  As  As3  2  0.0  0.0  0.0  1.0

Sn Sn Sn Sn As