data_ZrGeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   3.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGeAs2
_chemical_formula_sum   'Zr1 Ge1 As2'
_cell_volume   76.49
_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
  Zr  Zr3  1  0.91  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.45  0.15  0.78  1.0
  As  As1  1  0.45  0.85  0.78  1.0

data_ZrGeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   103.6
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGeAs2
_chemical_formula_sum   'Zr1 Ge1 As2'
_cell_volume   76.49
_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
  Zr  Zr0  1  0.0  0.91  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.78  0.45  0.85  1.0
  As  As3  1  0.78  0.45  0.15  1.0

Zr Ge As As
Zr Ge As As 0 1 + o o 2 3 o - o 