data_BaMnP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   135.13
_cell_angle_beta   135.13
_cell_angle_gamma   65.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnP2
_chemical_formula_sum   'Ba1 Mn1 P2'
_cell_volume   85.51
_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  0.13  0.0  0.35  1.0
  Mn  Mn1  1  0.0  0.0  0.7  1.0
  P  P2  1  0.0  0.13  0.35  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_BaMnP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   5.59
_cell_angle_alpha   112.43
_cell_angle_beta   112.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnP2
_chemical_formula_sum   'Ba1 Mn1 P2'
_cell_volume   85.51
_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  0.65  0.0  0.78  1.0
  Mn  Mn1  1  0.3  0.0  0.3  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.78  0.13  0.78  1.0

Ba Mn P P