data_BaMnP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   37.58
_cell_angle_beta   37.58
_cell_angle_gamma   37.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnP2
_chemical_formula_sum   'Ba1 Mn1 P2'
_cell_volume   78.59
_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
  Ba  Ba0  1  0.0  0.0  0.6  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.0  0.14  1.0
  P  P3  1  0.0  0.0  0.06  1.0

data_BaMnP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.89
_cell_length_b   3.98
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   111.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaMnP2
_chemical_formula_sum   'Ba2 Mn2 P4'
_cell_volume   157.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.0  0.0  0.4  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  P  P2  2  0.0  0.0  0.86  1.0
  P  P3  2  0.0  0.0  0.94  1.0

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