data_Mn2BiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   141.37
_cell_angle_beta   129.38
_cell_angle_gamma   65.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BiMo
_chemical_formula_sum   'Mn2 Bi1 Mo1'
_cell_volume   65.3
_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
  Mn  Mn1  1  0.0  0.0  0.11  1.0
  Mn  Mn2  1  0.71  0.0  0.1  1.0
  Bi  Bi0  1  0.0  0.2  0.23  1.0
  Mo  Mo3  1  0.0  0.0  0.24  1.0

data_Mn2BiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.41
_cell_length_c   5.16
_cell_angle_alpha   115.31
_cell_angle_beta   109.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BiMo
_chemical_formula_sum   'Mn2 Bi1 Mo1'
_cell_volume   65.3
_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
  Mn  Mn0  1  0.6  0.9  0.6  1.0
  Mn  Mn1  1  0.89  0.89  0.89  1.0
  Bi  Bi2  1  0.77  0.98  0.98  1.0
  Mo  Mo3  1  0.76  0.76  0.76  1.0

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