data_ScMn2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMn2P
_chemical_formula_sum   'Sc1 Mn2 P1'
_cell_volume   52.0
_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
  Sc  Sc3  1  0.0  0.0  0.93  1.0
  Mn  Mn0  1  0.06  0.0  0.68  1.0
  Mn  Mn1  1  0.06  0.0  0.19  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_ScMn2P
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScMn2P
_chemical_formula_sum   'Sc1 Mn2 P1'
_cell_volume   52.05
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Sc  Sc0  1  0.0  0.0  0.93  1.0
  Mn  Mn1  1  0.06  0.0  0.19  1.0
  Mn  Mn2  1  0.06  0.0  0.68  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Sc Mn Mn P
Sc Mn Mn P 0 3 o o + 0 1 o o o 2 3 o o o 