data_Cr2FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   141.78
_cell_angle_beta   132.19
_cell_angle_gamma   62.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeP
_chemical_formula_sum   'Cr2 Fe1 P1'
_cell_volume   43.68
_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  0.86  0.01  1.0
  Cr  Cr1  1  0.5  0.0  0.9  1.0
  Fe  Fe2  1  0.0  0.0  0.91  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Cr2FeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   3.72
_cell_length_c   4.59
_cell_angle_alpha   113.9
_cell_angle_beta   109.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeP
_chemical_formula_sum   'Cr2 Fe1 P1'
_cell_volume   43.68
_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  0.9  0.4  1.0
  Cr  Cr1  1  0.14  0.16  0.16  1.0
  Fe  Fe2  1  0.0  0.91  0.91  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Cr Cr Fe P