data_SmCuP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.29
_cell_length_b   10.29
_cell_length_c   10.29
_cell_angle_alpha   158.87
_cell_angle_beta   158.87
_cell_angle_gamma   30.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmCuP2
_chemical_formula_sum   'Sm2 Cu2 P4'
_cell_volume   141.44
_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
  Sm  Sm6  1  0.0  0.0  0.55  1.0
  Sm  Sm7  1  0.0  0.0  0.32  1.0
  Cu  Cu4  1  0.89  0.0  0.97  1.0
  Cu  Cu5  1  0.0  0.89  0.97  1.0
  P  P0  1  0.0  0.0  0.42  1.0
  P  P1  1  0.0  0.0  0.45  1.0
  P  P2  1  0.89  0.0  0.0  1.0
  P  P3  1  0.0  0.89  0.0  1.0

data_SmCuP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   10.29
_cell_angle_alpha   90.0
_cell_angle_beta   105.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SmCuP2
_chemical_formula_sum   'Sm4 Cu4 P8'
_cell_volume   282.87
_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
  Sm  Sm0  2  0.0  0.0  0.45  1.0
  Sm  Sm1  2  0.0  0.0  0.68  1.0
  Cu  Cu2  4  0.44  0.44  0.92  1.0
  P  P3  4  0.44  0.44  0.89  1.0
  P  P4  2  0.0  0.0  0.55  1.0
  P  P5  2  0.0  0.0  0.58  1.0

Sm Sm Cu Cu P P P P