data_CuOs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   99.5
_cell_angle_beta   99.5
_cell_angle_gamma   132.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuOs4
_chemical_formula_sum   'Cu1 Os4'
_cell_volume   69.93
_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  0.0  1.0
  Os  Os1  1  0.24  0.56  0.0  1.0
  Os  Os2  1  0.54  0.79  0.9  1.0
  Os  Os3  1  0.79  0.46  0.9  1.0
  Os  Os4  1  0.49  0.24  0.0  1.0

data_CuOs4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   80.5
_cell_angle_beta   66.03
_cell_angle_gamma   66.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuOs4
_chemical_formula_sum   'Cu1 Os4'
_cell_volume   69.93
_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  0.0  1.0
  Os  Os1  1  0.24  0.0  0.26  1.0
  Os  Os2  1  0.56  0.9  0.33  1.0
  Os  Os3  1  0.56  0.0  0.67  1.0
  Os  Os4  1  0.89  0.9  0.74  1.0

Cu Os Os Os Os
Cu Os Os Os Os 0 2 - - - 0 3 - - - 0 4 o o o 1 2 o o - 3 4 o o + 