data_MnGeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   141.29
_cell_angle_beta   141.29
_cell_angle_gamma   55.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGeP
_chemical_formula_sum   'Mn1 Ge1 P1'
_cell_volume   41.29
_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
  Mn  Mn1  1  0.0  0.0  0.77  1.0
  Ge  Ge0  1  0.0  0.0  0.03  1.0
  P  P2  1  0.0  0.0  0.57  1.0

data_MnGeP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   117.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnGeP
_chemical_formula_sum   'Mn2 Ge2 P2'
_cell_volume   82.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.27  0.5  0.77  1.0
  Ge  Ge1  2  0.03  0.0  0.03  1.0
  P  P2  2  0.07  0.5  0.57  1.0

Mn Ge P
Mn Ge P 0 2 o o o 0 1 o o + 