data_TaCuP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   138.79
_cell_angle_beta   138.79
_cell_angle_gamma   59.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCuP2
_chemical_formula_sum   'Ta1 Cu1 P2'
_cell_volume   56.89
_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
  Ta  Ta3  1  0.79  0.0  0.21  1.0
  Cu  Cu0  1  0.0  0.0  0.42  1.0
  P  P1  1  0.0  0.79  0.21  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_TaCuP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   5.1
_cell_angle_alpha   110.61
_cell_angle_beta   110.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCuP2
_chemical_formula_sum   'Ta1 Cu1 P2'
_cell_volume   56.89
_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
  Ta  Ta0  1  0.79  0.0  0.58  1.0
  Cu  Cu1  1  0.58  0.0  0.58  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.58  0.79  0.58  1.0

Ta Cu P P
Ta Cu P P 0 1 + o o 0 3 + o o 1 2 o - o 1 3 o o o 2 3 o + o 