data_TaAg2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   4.43
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAg2P
_chemical_formula_sum   'Ta1 Ag2 P1'
_cell_volume   69.34
_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
  Ta  Ta3  1  0.0  0.0  0.64  1.0
  Ag  Ag0  1  0.49  0.21  0.94  1.0
  Ag  Ag1  1  0.49  0.21  0.33  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_TaAg2P
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.43
_cell_length_b   2.97
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TaAg2P
_chemical_formula_sum   'Ta1 Ag2 P1'
_cell_volume   69.34
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.64  1.0
  Ag  Ag1  1  0.21  0.5  0.33  1.0
  Ag  Ag2  1  0.21  0.5  0.94  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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