data_MnGeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   3.46
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   107.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGeP2
_chemical_formula_sum   'Mn1 Ge1 P2'
_cell_volume   66.36
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.38  0.0  0.28  1.0
  P  P2  1  0.97  0.73  0.7  1.0
  P  P3  1  0.78  0.73  0.87  1.0

data_MnGeP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.21
_cell_length_c   4.79
_cell_angle_alpha   107.7
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGeP2
_chemical_formula_sum   'Mn1 Ge1 P2'
_cell_volume   66.36
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.62  0.72  1.0
  P  P2  1  0.27  0.03  0.3  1.0
  P  P3  1  0.27  0.22  0.13  1.0

Mn Ge P P
Mn Ge P P 0 3 - - - 0 1 o o o 2 3 o o o 