data_[Fe2Co1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6714]
_cell_length_b [5.0617]
_cell_length_c [5.8969]
_cell_angle_alpha [65.4158]
_cell_angle_beta [67.2983]
_cell_angle_gamma [89.4064]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Fe2CoSe4]
_chemical_formula_sum '[Fe2 Co1 Se4]'
_cell_volume [115.0801]
_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
[
  Fe  Fe0  1  0.1361  0.3988  0.8412  1
  Fe  Fe1  1  0.3892  0.2070  0.2281  1
  Co  Co2  1  0.9121  0.5406  0.2527  1
  Se  Se3  1  0.1488  0.8855  0.7730  1
  Se  Se4  1  0.3758  0.6127  0.3268  1
  Se  Se5  1  0.6686  0.3064  0.7704  1
  Se  Se6  1  0.8695  0.0491  0.3078  1
]