data_Ge2MoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   141.03
_cell_angle_beta   125.43
_cell_angle_gamma   69.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2MoP
_chemical_formula_sum   'Ge2 Mo1 P1'
_cell_volume   60.89
_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  1  0.65  0.0  0.87  1.0
  Ge  Ge1  1  0.0  0.27  0.21  1.0
  Mo  Mo2  1  0.0  0.0  0.07  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Ge2MoP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.53
_cell_length_c   4.94
_cell_angle_alpha   117.28
_cell_angle_beta   109.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2MoP
_chemical_formula_sum   'Ge2 Mo1 P1'
_cell_volume   60.89
_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  1  0.78  0.13  0.78  1.0
  Ge  Ge1  1  0.79  0.06  0.06  1.0
  Mo  Mo2  1  0.93  0.93  0.93  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ge Ge Mo P
Ge Ge Mo P 0 3 + o + 0 1 + o + 0 2 + o + 1 3 o o o 1 2 o o o 2 3 o o o 