data_LaPRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   150.23
_cell_angle_beta   150.23
_cell_angle_gamma   42.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPRu
_chemical_formula_sum   'La1 P1 Ru1'
_cell_volume   56.3
_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  0.0  0.01  1.0
  P  P1  1  0.0  0.0  0.02  1.0
  Ru  Ru2  1  0.0  0.0  0.37  1.0

data_LaPRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   111.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaPRu
_chemical_formula_sum   'La2 P2 Ru2'
_cell_volume   112.6
_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
  La  La0  2  0.01  0.0  0.01  1.0
  P  P1  2  0.02  0.0  0.02  1.0
  Ru  Ru2  2  0.37  0.0  0.37  1.0

La P Ru
La P Ru 0 1 o o o 0 2 o o o 1 2 o o o 