data_[Sn1Mo2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Mo  2.1600  1.4500  0.7750
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.1626]
_cell_length_b [4.8646]
_cell_length_c [18.8738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Sn(MoAs2)2]
_chemical_formula_sum '[Sn1 Mo2 As4]'
_cell_volume [473.9929]
_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  Sn0  1  0.9096  0.0000  0.5671  1
  Mo  Mo1  1  0.2002  0.5000  0.5347  1
  Mo  Mo2  1  0.4587  0.0000  0.4774  1
  As  As3  2  0.1314  0.2540  0.4084  1
  As  As4  1  0.3847  0.0000  0.6136  1
  As  As5  1  0.6760  0.5000  0.4904  1
]