data_Ag2MoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   9.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2MoSe
_chemical_formula_sum   'Ag2 Mo1 Se1'
_cell_volume   76.0
_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
  Ag  Ag0  1  0.62  0.0  0.61  1.0
  Ag  Ag1  1  0.0  0.0  0.26  1.0
  Mo  Mo2  1  0.62  0.0  0.86  1.0
  Se  Se3  1  0.0  0.0  0.93  1.0

data_Ag2MoSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   9.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2MoSe
_chemical_formula_sum   'Ag2 Mo1 Se1'
_cell_volume   76.0
_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
  Ag  Ag0  1  0.0  0.0  0.26  1.0
  Ag  Ag1  1  0.62  0.0  0.61  1.0
  Mo  Mo2  1  0.62  0.0  0.86  1.0
  Se  Se3  1  0.0  0.0  0.93  1.0

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