data_MnSi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.38
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   109.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSi2P
_chemical_formula_sum   'Mn1 Si2 P1'
_cell_volume   55.41
_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  0.45  0.69  0.14  1.0
  Si  Si2  1  0.86  0.69  0.32  1.0
  Si  Si3  1  0.02  0.0  0.83  1.0
  P  P1  1  0.22  0.0  0.41  1.0

data_MnSi2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.5
_cell_length_c   4.98
_cell_angle_alpha   109.74
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSi2P
_chemical_formula_sum   'Mn1 Si2 P1'
_cell_volume   55.41
_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  0.31  0.55  0.86  1.0
  Si  Si1  1  0.0  0.98  0.17  1.0
  Si  Si2  1  0.31  0.14  0.68  1.0
  P  P3  1  0.0  0.78  0.59  1.0

Mn Si Si P
Mn Si Si P 0 1 o o o 0 2 o + - 1 3 + + o 2 3 o o o 