data_LaGeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   131.56
_cell_angle_beta   121.09
_cell_angle_gamma   79.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGeP2
_chemical_formula_sum   'La1 Ge1 P2'
_cell_volume   84.38
_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
  La  La1  1  0.0  0.0  0.95  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.11  0.0  0.85  1.0
  P  P3  1  0.0  0.53  0.1  1.0

data_LaGeP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   5.06
_cell_length_c   5.14
_cell_angle_alpha   119.46
_cell_angle_beta   114.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGeP2
_chemical_formula_sum   'La1 Ge1 P2'
_cell_volume   84.38
_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
  La  La0  1  0.0  0.95  0.95  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.85  0.74  1.0
  P  P3  1  0.47  0.57  0.57  1.0

La Ge P P