data_[Sr24Ge8As24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [19.4881]
_cell_length_b [6.6303]
_cell_length_c [12.8903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sr3GeAs3]
_chemical_formula_sum '[Sr24 Ge8 As24]'
_cell_volume [1665.5668]
_cell_formula_units_Z [8]
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  16  0.1751  0.1857  0.6314  1
  Sr  Sr1  8  0.0000  0.1874  0.3553  1
  Ge  Ge2  8  0.0866  0.0000  0.0000  1
  As  As3  16  0.1619  0.2053  0.8787  1
  As  As4  8  0.0000  0.2185  0.1117  1
]