data_BeSnAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   140.36
_cell_angle_beta   140.36
_cell_angle_gamma   57.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSnAs2
_chemical_formula_sum   'Be1 Sn1 As2'
_cell_volume   75.95
_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
  Be  Be2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.03  1.0
  As  As0  1  0.0  0.94  0.51  1.0
  As  As1  1  0.94  0.0  0.51  1.0

data_BeSnAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   118.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeSnAs2
_chemical_formula_sum   'Be2 Sn2 As4'
_cell_volume   151.9
_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
  Be  Be0  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.0  0.0  0.97  1.0
  As  As2  4  0.47  0.47  0.43  1.0

Be Sn As As
Be Sn As As 0 1 o o o 2 3 - + o 