data_MnFeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   4.68
_cell_angle_alpha   101.98
_cell_angle_beta   101.98
_cell_angle_gamma   41.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeP2
_chemical_formula_sum   'Mn1 Fe1 P2'
_cell_volume   43.9
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.05  0.0  0.28  1.0
  P  P2  1  0.09  0.0  0.12  1.0
  P  P3  1  0.0  0.0  0.45  1.0

data_MnFeP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   3.81
_cell_length_c   4.68
_cell_angle_alpha   101.98
_cell_angle_beta   90.0
_cell_angle_gamma   110.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeP2
_chemical_formula_sum   'Mn1 Fe1 P2'
_cell_volume   43.9
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.95  0.72  1.0
  P  P2  1  0.0  0.91  0.88  1.0
  P  P3  1  0.0  1.0  0.55  1.0

Mn Fe P P