data_[Sr1Te1Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7044]
_cell_length_b [5.6763]
_cell_length_c [5.7180]
_cell_angle_alpha [89.7546]
_cell_angle_beta [67.3430]
_cell_angle_gamma [70.6834]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SrTeSe2]
_chemical_formula_sum '[Sr1 Te1 Se2]'
_cell_volume [131.6395]
_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
[
  Sr  Sr0  1  0.7536  0.7104  0.1859  1.0
  Te  Te1  1  0.9826  0.1918  0.5721  1.0
  Se  Se2  1  0.1141  0.6066  0.5738  1.0
  Se  Se3  1  0.1408  0.0964  0.0835  1.0
]