data_CrTcP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   5.85
_cell_length_c   2.76
_cell_angle_alpha   82.01
_cell_angle_beta   71.42
_cell_angle_gamma   26.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTcP
_chemical_formula_sum   'Cr1 Tc1 P1'
_cell_volume   39.26
_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  0.5  0.32  0.15  1.0
  Tc  Tc2  1  0.5  0.32  0.67  1.0
  P  P1  1  0.5  0.32  0.49  1.0

data_CrTcP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.0
_cell_length_b   11.31
_cell_length_c   2.76
_cell_angle_alpha   90.0
_cell_angle_beta   122.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrTcP
_chemical_formula_sum   'Cr2 Tc2 P2'
_cell_volume   78.53
_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
  Cr  Cr0  2  0.32  0.0  0.35  1.0
  Tc  Tc1  2  0.32  0.0  0.83  1.0
  P  P2  2  0.32  0.0  0.01  1.0

Cr Tc P