data_MgCo2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCo2Bi
_chemical_formula_sum   'Mg1 Co2 Bi1'
_cell_volume   72.93
_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
  Mg  Mg3  1  0.0  0.0  0.23  1.0
  Co  Co1  1  0.0  0.0  0.94  1.0
  Co  Co2  1  0.17  0.0  0.89  1.0
  Bi  Bi0  1  0.17  0.0  0.45  1.0

data_MgCo2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCo2Bi
_chemical_formula_sum   'Mg1 Co2 Bi1'
_cell_volume   72.93
_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
  Mg  Mg0  1  0.0  0.0  0.23  1.0
  Co  Co1  1  0.0  0.0  0.94  1.0
  Co  Co2  1  0.17  0.0  0.89  1.0
  Bi  Bi3  1  0.17  0.0  0.45  1.0

Mg Co Co Bi
Mg Co Co Bi 0 3 o o o 1 2 o o o 