data_Cu2P2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   148.59
_cell_angle_beta   148.59
_cell_angle_gamma   45.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2P2Os
_chemical_formula_sum   'Cu2 P2 Os1'
_cell_volume   68.05
_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
  Cu  Cu0  1  0.0  0.0  0.01  1.0
  Cu  Cu1  1  0.0  0.0  0.65  1.0
  P  P3  1  0.0  0.71  0.92  1.0
  P  P4  1  0.71  0.0  0.92  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0

data_Cu2P2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   112.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu2P2Os
_chemical_formula_sum   'Cu4 P4 Os2'
_cell_volume   136.09
_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
  Cu  Cu0  2  0.0  0.0  0.35  1.0
  Cu  Cu1  2  0.0  0.0  0.99  1.0
  P  P2  4  0.35  0.35  0.79  1.0
  Os  Os3  2  0.0  0.0  0.0  1.0

Cu Cu P P Os