data_[Sr2Al2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.5685]
_cell_length_b [3.8506]
_cell_length_c [5.0951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrAlAs2]
_chemical_formula_sum '[Sr2 Al2 As4]'
_cell_volume [200.7591]
_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
[
  Sr  Sr0  2  0.0130  0.5000  0.5073  1
  Al  Al1  2  0.2718  0.0000  0.8369  1
  As  As2  2  0.2515  0.5000  0.1624  1
  As  As3  2  0.4637  0.5000  0.9934  1
]