data_[Fe2Ge1As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.6632]
_cell_length_b [7.5904]
_cell_length_c [8.7371]
_cell_angle_alpha [107.7295]
_cell_angle_beta [91.8325]
_cell_angle_gamma [102.6250]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Fe2GeAs8]
_chemical_formula_sum '[Fe2 Ge1 As8]'
_cell_volume [224.5304]
_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
[
  Fe  Fe0  2  0.4060  0.3136  0.7194  1
  Ge  Ge1  1  0.0000  0.0000  0.0000  1
  As  As2  2  0.0723  0.6687  0.1104  1
  As  As3  2  0.2806  0.9943  0.7167  1
  As  As4  2  0.3288  0.2221  0.4400  1
  As  As5  2  0.4273  0.3636  0.2152  1
]