data_[Cu2Sn2As2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3100]
_cell_length_b [3.9281]
_cell_length_c [8.9624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7415]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CuSnAsSe3]
_chemical_formula_sum '[Cu2 Sn2 As2 Se6]'
_cell_volume [287.4301]
_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
[
  Cu  Cu0  2  0.0678  0.2500  0.5855  1.0
  Sn  Sn1  2  0.1752  0.2500  0.2699  1.0
  As  As2  2  0.3343  0.7500  0.8738  1.0
  Se  Se3  2  0.1181  0.2500  0.8652  1.0
  Se  Se4  2  0.2377  0.7500  0.5141  1.0
  Se  Se5  2  0.4220  0.7500  0.1539  1.0
]