data_Lu(Ni2P)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   3.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu(Ni2P)2
_chemical_formula_sum   'Lu2 Ni8 P4'
_cell_volume   177.19
_cell_formula_units_Z   2
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
  Lu  Lu0  1  0.51  0.51  0.8  1.0
  Lu  Lu1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.36  0.6  0.8  1.0
  Ni  Ni3  1  0.6  0.36  0.8  1.0
  Ni  Ni4  1  0.42  0.66  0.8  1.0
  Ni  Ni5  1  0.66  0.42  0.8  1.0
  Ni  Ni6  1  0.11  0.15  0.0  1.0
  Ni  Ni7  1  0.88  0.91  0.0  1.0
  Ni  Ni8  1  0.15  0.11  0.0  1.0
  Ni  Ni9  1  0.91  0.88  0.0  1.0
  P  P10  1  0.48  0.54  0.8  1.0
  P  P11  1  0.54  0.48  0.8  1.0
  P  P12  1  0.97  0.97  0.0  1.0
  P  P13  1  0.05  0.05  0.0  1.0

data_Lu(Ni2P)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   9.93
_cell_length_b   9.93
_cell_length_c   3.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Lu(Ni2P)2
_chemical_formula_sum   'Lu4 Ni16 P8'
_cell_volume   354.38
_cell_formula_units_Z   4
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
  Lu  Lu0  2  0.0  0.0  0.0  1.0
  Lu  Lu1  2  0.01  0.5  0.8  1.0
  Ni  Ni2  4  0.04  0.38  0.8  1.0
  Ni  Ni3  4  0.13  0.02  0.0  1.0
  Ni  Ni4  4  0.39  0.48  0.0  1.0
  Ni  Ni5  4  0.48  0.12  0.8  1.0
  P  P6  4  0.01  0.47  0.8  1.0
  P  P7  2  0.05  0.0  0.0  1.0
  P  P8  2  0.47  0.5  0.0  1.0

Lu Lu Ni Ni Ni Ni Ni Ni Ni Ni P P P P