data_Ba2Re2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.5
_cell_length_b   10.5
_cell_length_c   10.5
_cell_angle_alpha   160.08
_cell_angle_beta   160.08
_cell_angle_gamma   28.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Re2P
_chemical_formula_sum   'Ba2 Re2 P1'
_cell_volume   134.46
_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  0.14  1.0
  Ba  Ba1  1  0.0  0.0  0.24  1.0
  Re  Re3  1  0.0  0.82  0.09  1.0
  Re  Re4  1  0.82  0.0  0.09  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Ba2Re2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   10.5
_cell_angle_alpha   90.0
_cell_angle_beta   104.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2Re2P
_chemical_formula_sum   'Ba4 Re4 P2'
_cell_volume   268.93
_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  0.76  1.0
  Ba  Ba1  2  0.0  0.0  0.86  1.0
  Re  Re2  4  0.41  0.59  0.72  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Ba Ba Re Re P