data_MnAgMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.39
_cell_length_b   9.39
_cell_length_c   9.39
_cell_angle_alpha   16.87
_cell_angle_beta   16.87
_cell_angle_gamma   16.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAgMo2
_chemical_formula_sum   'Mn1 Ag1 Mo2'
_cell_volume   60.73
_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  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.87  1.0
  Mo  Mo2  1  0.0  0.0  0.18  1.0
  Mo  Mo3  1  0.0  0.0  0.57  1.0

data_MnAgMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.77
_cell_length_b   2.75
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   99.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnAgMo2
_chemical_formula_sum   'Mn2 Ag2 Mo4'
_cell_volume   121.47
_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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  Ag  Ag1  2  -0.0  0.0  0.13  1.0
  Mo  Mo2  2  -0.0  0.0  0.82  1.0
  Mo  Mo3  2  -0.0  0.0  0.43  1.0

Mn Ag Mo Mo
Mn Ag Mo Mo 0 1 o o - 0 2 o o o 1 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 