data_[Mn1Co1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.6664]
_cell_length_b [3.5178]
_cell_length_c [6.0556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4827]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [MnCoSe4]
_chemical_formula_sum '[Mn1 Co1 Se4]'
_cell_volume [120.7025]
_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
[
  Mn  Mn0  1  0.0000  0.0000  0.0000  1.0
  Co  Co1  1  0.0000  0.5000  0.5000  1.0
  Se  Se2  2  0.2328  0.0000  0.3452  1.0
  Se  Se3  2  0.2439  0.5000  0.8276  1.0
]