data_[Sr1In3As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0635]
_cell_length_b [5.4572]
_cell_length_c [19.9073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [SrIn3As2]
_chemical_formula_sum '[Sr1 In3 As2]'
_cell_volume [441.4528]
_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  0.0000  0.5000  0.3724  1
  In  In1  2  0.5000  0.2554  0.6189  1
  In  In2  1  0.0000  0.0000  0.4782  1
  As  As3  1  0.0000  0.5000  0.5306  1
  As  As4  1  0.5000  0.0000  0.3810  1
]