data_[Ge3As1P3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.5538]
_cell_length_b [20.2225]
_cell_length_c [8.4587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ge3AsP3]
_chemical_formula_sum '[Ge3 As1 P3]'
_cell_volume [436.8409]
_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
[
  Ge  Ge0  2  0.0000  0.3709  0.2670  1
  Ge  Ge1  1  0.0000  0.5000  0.1133  1
  As  As2  1  0.0000  0.5000  0.7894  1
  P  P3  2  0.0000  0.4083  0.5547  1
  P  P4  1  0.0000  0.5000  0.4127  1
]