data_[Sn2Sb2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.5283]
_cell_length_b [4.1081]
_cell_length_c [7.2393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3372]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SnSbAs2]
_chemical_formula_sum '[Sn2 Sb2 As4]'
_cell_volume [205.5731]
_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
[
  Sn  Sn0  2  0.2361  0.0000  0.7704  1.0
  Sb  Sb1  2  0.2364  0.5000  0.2658  1.0
  As  As2  2  0.0138  0.0000  0.9924  1.0
  As  As3  2  0.0247  0.5000  0.4930  1.0
]