data_VCu2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   136.18
_cell_angle_beta   136.18
_cell_angle_gamma   63.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCu2Os
_chemical_formula_sum   'V1 Cu2 Os1'
_cell_volume   51.36
_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
  V  V3  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.78  0.0  0.03  1.0
  Cu  Cu1  1  0.0  0.78  0.03  1.0
  Os  Os2  1  0.0  0.0  0.05  1.0

data_VCu2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   121.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VCu2Os
_chemical_formula_sum   'V2 Cu4 Os2'
_cell_volume   102.72
_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
  V  V0  2  0.0  0.0  0.0  1.0
  Cu  Cu1  4  0.11  0.11  0.25  1.0
  Os  Os2  2  0.0  0.0  0.05  1.0

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