data_Y2GeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.61
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   101.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2GeP
_chemical_formula_sum   'Y2 Ge1 P1'
_cell_volume   90.11
_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
  Y  Y2  1  0.25  0.8  0.7  1.0
  Y  Y3  1  0.77  0.8  0.53  1.0
  Ge  Ge0  1  0.28  0.0  0.61  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Y2GeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   3.61
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   101.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2GeP
_chemical_formula_sum   'Y2 Ge1 P1'
_cell_volume   90.11
_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
  Y  Y0  1  0.25  0.8  0.7  1.0
  Y  Y1  1  0.77  0.8  0.53  1.0
  Ge  Ge2  1  0.28  0.0  0.61  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Y Y Ge P
Y Y Ge P 0 2 o + o 0 1 - o o 0 3 + + + 0 3 o + + 1 2 o + o 1 2 + + o 1 3 + + + 2 3 + o + 2 3 o o + 3 3 + o o 3 3 o + o 