data_LaCuP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   3.79
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCuP2
_chemical_formula_sum   'La1 Cu1 P2'
_cell_volume   83.34
_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  0.11  0.0  0.57  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.23  0.89  0.44  1.0
  P  P3  1  0.99  0.89  0.71  1.0

data_LaCuP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.27
_cell_length_c   5.15
_cell_angle_alpha   90.65
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCuP2
_chemical_formula_sum   'La1 Cu1 P2'
_cell_volume   83.34
_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  0.89  0.43  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.11  0.01  0.29  1.0
  P  P3  1  0.11  0.77  0.56  1.0

La Cu P P
La Cu P P 0 3 - - o 0 2 o - o 1 3 - - - 