data_MgCu3(BiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   7.1
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCu3(BiO3)4
_chemical_formula_sum   'Mg1 Cu3 Bi4 O12'
_cell_volume   275.07
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.1  0.0  1.0
  Cu  Cu2  1  0.0  0.0  0.1  1.0
  Cu  Cu3  1  0.1  0.0  0.0  1.0
  Bi  Bi4  1  0.05  0.95  0.05  1.0
  Bi  Bi5  1  0.95  0.05  0.05  1.0
  Bi  Bi6  1  0.05  0.05  0.05  1.0
  Bi  Bi7  1  0.05  0.05  0.95  1.0
  O  O8  1  0.84  0.1  0.52  1.0
  O  O9  1  0.26  0.0  0.58  1.0
  O  O10  1  0.84  0.1  0.48  1.0
  O  O11  1  0.0  0.62  0.26  1.0
  O  O12  1  0.62  0.26  0.0  1.0
  O  O13  1  0.52  0.84  0.1  1.0
  O  O14  1  0.0  0.58  0.26  1.0
  O  O15  1  0.48  0.84  0.1  1.0
  O  O16  1  0.26  0.0  0.62  1.0
  O  O17  1  0.1  0.48  0.84  1.0
  O  O18  1  0.58  0.26  0.0  1.0
  O  O19  1  0.1  0.52  0.84  1.0

data_MgCu3(BiO3)4
_symmetry_space_group_name_H-M   R3
_cell_length_a   11.59
_cell_length_b   11.59
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   MgCu3(BiO3)4
_chemical_formula_sum   'Mg3 Cu9 Bi12 O36'
_cell_volume   825.22
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+2/3, y+1/3, z+1/3'
  5  '-y+2/3, x-y+1/3, z+1/3'
  6  '-x+y+2/3, -x+1/3, z+1/3'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
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
  Mg  Mg0  3  0.0  0.0  0.0  1.0
  Cu  Cu1  9  0.06  0.03  0.03  1.0
  Bi  Bi2  9  0.03  0.06  0.02  1.0
  Bi  Bi3  3  0.0  0.0  0.05  1.0
  O  O4  9  0.01  0.37  0.47  1.0
  O  O5  9  0.02  0.3  0.82  1.0
  O  O6  9  0.04  0.7  0.96  1.0
  O  O7  9  0.05  0.69  0.95  1.0

Mg Cu Cu Cu Bi Bi Bi Bi O O O O O O O O O O O O