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 [18.0402]
_cell_length_b [4.0849]
_cell_length_c [4.7856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0677]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrSbAs]
_chemical_formula_sum '[Sr4 Sb4 As4]'
_cell_volume [352.6581]
_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  0.0974  0.0000  0.1927  1.0
  Sr  Sr1  2  0.3174  0.5000  0.1950  1.0
  Sb  Sb2  2  0.1658  0.5000  0.6930  1.0
  Sb  Sb3  2  0.4591  0.5000  0.6796  1.0
  As  As4  2  0.2676  0.0000  0.6956  1.0
  As  As5  2  0.4586  0.0000  0.2882  1.0
]