data_La2NiP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89
_cell_length_b   7.89
_cell_length_c   7.89
_cell_angle_alpha   146.83
_cell_angle_beta   146.83
_cell_angle_gamma   47.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NiP4
_chemical_formula_sum   'La2 Ni1 P4'
_cell_volume   146.71
_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  0.23  1.0
  La  La1  1  0.0  0.0  0.22  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.15  1.0
  P  P4  1  0.0  0.0  0.29  1.0
  P  P5  1  0.0  0.25  0.0  1.0
  P  P6  1  0.25  0.0  0.0  1.0

data_La2NiP4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   113.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2NiP4
_chemical_formula_sum   'La4 Ni2 P8'
_cell_volume   293.43
_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  0.0  0.0  0.77  1.0
  La  La1  2  0.0  0.0  0.78  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0
  P  P3  4  0.13  0.13  0.25  1.0
  P  P4  2  0.0  0.0  0.71  1.0
  P  P5  2  0.0  0.0  0.85  1.0

La La Ni P P P P
La La Ni P P P P 0 1 o o o 0 4 o o o 1 3 o o o 2 3 o o o 5 6 o o o 