data_Cr2TcP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   2.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2TcP
_chemical_formula_sum   'Cr2 Tc1 P1'
_cell_volume   50.06
_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  0.18  0.89  0.39  1.0
  Cr  Cr1  1  0.18  0.11  0.39  1.0
  Tc  Tc3  1  0.37  0.0  0.0  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Cr2TcP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   115.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2TcP
_chemical_formula_sum   'Cr2 Tc1 P1'
_cell_volume   50.06
_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  0.39  0.18  0.11  1.0
  Cr  Cr1  1  0.39  0.18  0.89  1.0
  Tc  Tc2  1  0.0  0.37  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Cr Cr Tc P