data_TaCrP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrP2
_chemical_formula_sum   'Ta1 Cr1 P2'
_cell_volume   67.51
_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  0.64  0.0  0.49  1.0
  Cr  Cr0  1  0.0  0.0  0.34  1.0
  P  P1  1  0.64  0.0  0.7  1.0
  P  P2  1  0.0  0.0  0.42  1.0

data_TaCrP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrP2
_chemical_formula_sum   'Ta1 Cr1 P2'
_cell_volume   67.51
_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  0.64  0.0  0.49  1.0
  Cr  Cr1  1  0.0  0.0  0.34  1.0
  P  P2  1  0.0  0.0  0.42  1.0
  P  P3  1  0.64  0.0  0.7  1.0

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