data_[Cr1Te1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.4364]
_cell_length_b [3.7624]
_cell_length_c [6.6132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CrTeSe4]
_chemical_formula_sum '[Cr1 Te1 Se4]'
_cell_volume [160.0583]
_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  0.0000  0.5000  0.5000  1.0
  Te  Te1  1  0.0000  0.0000  0.0000  1.0
  Se  Se2  2  0.2209  0.0000  0.3618  1.0
  Se  Se3  2  0.2398  0.5000  0.8080  1.0
]