data_ZrBi2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.38
_cell_angle_alpha   107.43
_cell_angle_beta   107.43
_cell_angle_gamma   36.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBi2Mo
_chemical_formula_sum   'Zr1 Bi2 Mo1'
_cell_volume   93.19
_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
  Zr  Zr3  1  0.76  0.0  0.17  1.0
  Bi  Bi0  1  0.05  0.0  0.29  1.0
  Bi  Bi1  1  0.25  0.0  0.5  1.0
  Mo  Mo2  1  0.18  0.0  0.7  1.0

data_ZrBi2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.38
_cell_length_c   5.54
_cell_angle_alpha   107.43
_cell_angle_beta   108.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBi2Mo
_chemical_formula_sum   'Zr1 Bi2 Mo1'
_cell_volume   93.19
_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
  Zr  Zr0  1  0.0  0.17  0.76  1.0
  Bi  Bi1  1  0.0  0.29  0.05  1.0
  Bi  Bi2  1  0.0  0.5  0.25  1.0
  Mo  Mo3  1  0.0  0.7  0.18  1.0

Zr Bi Bi Mo
Zr Bi Bi Mo 0 1 + o o 1 2 o o o 2 3 o o o 