data_[Sr4Sb4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [18.0968]
_cell_length_b [4.0617]
_cell_length_c [4.7926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0720]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrSbAs]
_chemical_formula_sum '[Sr4 Sb4 As4]'
_cell_volume [352.2728]
_cell_formula_units_Z [4]
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  0.0975  0.0000  0.1922  1
  Sr  Sr1  2  0.3175  0.5000  0.1946  1
  Sb  Sb2  2  0.1650  0.5000  0.6933  1
  Sb  Sb3  2  0.4590  0.5000  0.6798  1
  As  As4  2  0.2683  0.0000  0.6958  1
  As  As5  2  0.4586  0.0000  0.2885  1
]