data_[Ge4Mo4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Mo  2.1600  1.4500  0.7750
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3082]
_cell_length_b [3.2981]
_cell_length_c [7.7309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GeMoAs]
_chemical_formula_sum '[Ge4 Mo4 As4]'
_cell_volume [206.3153]
_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
[
  Ge  Ge0  4  0.1039  0.5000  0.8968  1.0
  Mo  Mo1  4  0.1545  0.0000  0.2013  1.0
  As  As2  4  0.1455  0.0000  0.5363  1.0
]