data_MnSiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSiP
_chemical_formula_sum   'Mn2 Si2 P2'
_cell_volume   80.71
_cell_formula_units_Z   2
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  0.19  0.27  0.21  1.0
  Mn  Mn1  1  0.0  0.53  0.63  1.0
  Si  Si4  1  0.19  0.27  0.63  1.0
  Si  Si5  1  0.0  0.53  0.21  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.42  1.0

data_MnSiP
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSiP
_chemical_formula_sum   'Mn2 Si2 P2'
_cell_volume   80.71
_cell_formula_units_Z   2
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  0.53  0.63  1.0
  Mn  Mn1  1  0.19  0.27  0.21  1.0
  Si  Si2  1  0.0  0.53  0.21  1.0
  Si  Si3  1  0.19  0.27  0.63  1.0
  P  P4  1  0.0  0.0  0.0  1.0
  P  P5  1  0.0  0.0  0.42  1.0

Mn Mn Si Si P P