data_AgMo2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   131.86
_cell_angle_beta   131.86
_cell_angle_gamma   70.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgMo2Se
_chemical_formula_sum   'Ag1 Mo2 Se1'
_cell_volume   66.05
_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  0.02  0.0  0.02  1.0
  Mo  Mo1  1  0.0  0.0  0.05  1.0
  Mo  Mo2  1  0.0  0.02  0.02  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_AgMo2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   4.95
_cell_angle_alpha   114.07
_cell_angle_beta   114.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgMo2Se
_chemical_formula_sum   'Ag1 Mo2 Se1'
_cell_volume   66.05
_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  0.98  0.0  1.0  1.0
  Mo  Mo1  1  0.95  0.0  0.95  1.0
  Mo  Mo2  1  1.0  0.02  1.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Ag Mo Mo Se