data_[Zn4Ge4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3763]
_cell_length_b [4.9825]
_cell_length_c [7.6470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZnGeAs]
_chemical_formula_sum '[Zn4 Ge4 As4]'
_cell_volume [232.6889]
_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
[
  Zn  Zn0  4  0.1840  0.0000  0.8622  1
  Ge  Ge1  4  0.2110  0.0000  0.4430  1
  As  As2  4  0.0683  0.5000  0.7897  1
]