data_YTa2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   128.83
_cell_angle_beta   128.83
_cell_angle_gamma   75.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2P
_chemical_formula_sum   'Y1 Ta2 P1'
_cell_volume   75.6
_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
  Y  Y3  1  0.0  0.18  1.0  1.0
  Ta  Ta1  1  0.18  0.0  1.0  1.0
  Ta  Ta2  1  0.0  0.0  0.99  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_YTa2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   127.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTa2P
_chemical_formula_sum   'Y2 Ta4 P2'
_cell_volume   151.19
_cell_formula_units_Z   2
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
  Y  Y0  2  0.32  0.5  0.82  1.0
  Ta  Ta1  2  0.49  0.5  0.99  1.0
  Ta  Ta2  2  0.5  0.5  0.82  1.0
  P  P3  2  0.5  0.5  0.0  1.0

Y Ta Ta P
Y Ta Ta P 0 3 o o + 0 2 o o o 1 3 o o + 1 2 o o o 2 3 o o + 