data_BeAgMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   4.21
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   96.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAgMo2
_chemical_formula_sum   'Be1 Ag1 Mo2'
_cell_volume   59.16
_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
  Be  Be1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.73  0.0  0.59  1.0
  Mo  Mo2  1  0.12  0.11  0.18  1.0
  Mo  Mo3  1  0.04  0.11  1.0  1.0

data_BeAgMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.21
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   96.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAgMo2
_chemical_formula_sum   'Be1 Ag1 Mo2'
_cell_volume   59.16
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.73  0.0  0.59  1.0
  Mo  Mo2  1  0.04  0.11  1.0  1.0
  Mo  Mo3  1  0.12  0.11  0.18  1.0

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