data_TaCr2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.07
_cell_angle_alpha   113.65
_cell_angle_beta   113.65
_cell_angle_gamma   37.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCr2P
_chemical_formula_sum   'Ta1 Cr2 P1'
_cell_volume   52.04
_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  0.41  0.0  0.9  1.0
  Cr  Cr0  1  0.33  0.0  0.65  1.0
  Cr  Cr1  1  0.98  0.0  0.71  1.0
  P  P2  1  0.76  0.0  0.95  1.0

data_TaCr2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.07
_cell_length_c   4.81
_cell_angle_alpha   113.65
_cell_angle_beta   108.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCr2P
_chemical_formula_sum   'Ta1 Cr2 P1'
_cell_volume   52.04
_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  0.0  0.9  0.41  1.0
  Cr  Cr1  1  0.0  0.65  0.33  1.0
  Cr  Cr2  1  0.0  0.71  0.98  1.0
  P  P3  1  0.0  0.95  0.76  1.0

Ta Cr Cr P