data_Cr2AgSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.52
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   98.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2AgSe
_chemical_formula_sum   'Cr2 Ag1 Se1'
_cell_volume   68.55
_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
  Cr  Cr1  1  0.03  0.76  0.61  1.0
  Cr  Cr2  1  0.29  0.76  0.49  1.0
  Ag  Ag0  1  0.56  0.0  0.05  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Cr2AgSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.52
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   98.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2AgSe
_chemical_formula_sum   'Cr2 Ag1 Se1'
_cell_volume   68.55
_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
  Cr  Cr0  1  0.03  0.76  0.61  1.0
  Cr  Cr1  1  0.29  0.76  0.49  1.0
  Ag  Ag2  1  0.56  0.0  0.05  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Cr Cr Ag Se
Cr Cr Ag Se 0 1 o o o 2 3 o o o 2 3 + o o 