data_[Nb2Ge2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3174]
_cell_length_b [5.3170]
_cell_length_c [5.4999]
_cell_angle_alpha [91.9292]
_cell_angle_beta [102.2000]
_cell_angle_gamma [104.7420]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NbGeAs2]
_chemical_formula_sum '[Nb2 Ge2 As4]'
_cell_volume [146.3502]
_cell_formula_units_Z [2]
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
[
  Nb  Nb0  1  0.6720  0.2567  0.2933  1
  Nb  Nb1  1  0.9261  0.6649  0.8362  1
  Ge  Ge2  1  0.0296  0.1667  0.6924  1
  Ge  Ge3  1  0.0818  0.6803  0.3791  1
  As  As4  1  0.1110  0.1301  0.1748  1
  As  As5  1  0.4962  0.8104  0.9427  1
  As  As6  1  0.5232  0.2551  0.7502  1
  As  As7  1  0.5688  0.7326  0.4217  1
]