data_[Sr1As2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.0011]
_cell_length_b [6.2125]
_cell_length_c [6.3157]
_cell_angle_alpha [104.3866]
_cell_angle_beta [91.0343]
_cell_angle_gamma [108.2656]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sr(AsSe2)2]
_chemical_formula_sum '[Sr1 As2 Se4]'
_cell_volume [215.4033]
_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
[
  Sr  Sr0  1  0.8112  0.5685  0.2688  1.0
  As  As1  1  0.2241  0.4427  0.7229  1.0
  As  As2  1  0.5628  0.9958  0.5535  1.0
  Se  Se3  1  0.1631  0.0222  0.6523  1.0
  Se  Se4  1  0.2937  0.5137  0.3661  1.0
  Se  Se5  1  0.6286  0.0043  0.1893  1.0
  Se  Se6  1  0.8164  0.4529  0.7470  1.0
]