data_GeMoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   4.77
_cell_length_c   4.01
_cell_angle_alpha   90.0
_cell_angle_beta   91.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeMoP2
_chemical_formula_sum   'Ge1 Mo1 P2'
_cell_volume   65.29
_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  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.66  0.0  0.0  1.0
  P  P2  1  0.52  0.38  0.3  1.0
  P  P3  1  0.81  0.38  0.7  1.0

data_GeMoP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.01
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeMoP2
_chemical_formula_sum   'Ge1 Mo1 P2'
_cell_volume   65.29
_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  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.34  1.0  0.0  1.0
  P  P2  1  0.19  0.3  0.62  1.0
  P  P3  1  0.48  0.7  0.62  1.0

Ge Mo P P