data_Cr2ReP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2ReP
_chemical_formula_sum   'Cr2 Re1 P1'
_cell_volume   50.61
_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  0.54  0.0  0.85  1.0
  Cr  Cr1  1  0.54  0.0  0.69  1.0
  Re  Re3  1  0.0  0.0  0.77  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Cr2ReP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2ReP
_chemical_formula_sum   'Cr2 Re1 P1'
_cell_volume   50.61
_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  0.54  0.0  0.69  1.0
  Cr  Cr1  1  0.54  0.0  0.85  1.0
  Re  Re2  1  0.0  0.0  0.77  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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