data_La2CuP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   3.76
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   95.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CuP
_chemical_formula_sum   'La2 Cu1 P1'
_cell_volume   95.72
_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  0.38  0.88  0.36  1.0
  La  La2  1  0.58  0.88  0.65  1.0
  Cu  Cu0  1  0.66  0.0  0.5  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_La2CuP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   3.76
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   95.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CuP
_chemical_formula_sum   'La2 Cu1 P1'
_cell_volume   95.72
_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  0.38  0.88  0.36  1.0
  La  La1  1  0.58  0.88  0.65  1.0
  Cu  Cu2  1  0.66  0.0  0.5  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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