data_CrTcP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   4.27
_cell_angle_alpha   104.88
_cell_angle_beta   104.88
_cell_angle_gamma   39.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTcP2
_chemical_formula_sum   'Cr1 Tc1 P2'
_cell_volume   49.99
_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
  Cr  Cr0  1  0.86  0.0  0.67  1.0
  Tc  Tc3  1  0.5  0.0  0.31  1.0
  P  P1  1  0.97  0.0  0.23  1.0
  P  P2  1  0.2  0.0  0.94  1.0

data_CrTcP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.27
_cell_length_c   4.35
_cell_angle_alpha   104.88
_cell_angle_beta   109.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTcP2
_chemical_formula_sum   'Cr1 Tc1 P2'
_cell_volume   49.99
_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
  Cr  Cr0  1  0.0  0.67  0.86  1.0
  Tc  Tc1  1  0.0  0.31  0.5  1.0
  P  P2  1  0.0  0.23  0.97  1.0
  P  P3  1  0.0  0.94  0.2  1.0

Cr Tc P P
Cr Tc P P 0 1 o o o 0 3 + o o 0 2 o o o 1 3 o o - 1 2 o o o 1 2 - o o 2 3 + o - 