data_[Mn1Ga2Te1Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8058]
_cell_length_b [5.8314]
_cell_length_c [6.8776]
_cell_angle_alpha [113.8016]
_cell_angle_beta [114.3297]
_cell_angle_gamma [90.8366]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnGa2TeSe3]
_chemical_formula_sum '[Mn1 Ga2 Te1 Se3]'
_cell_volume [189.4996]
_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  0.7328  0.2555  0.4903  1
  Ga  Ga1  1  0.2551  0.7379  0.4948  1
  Ga  Ga2  1  0.5124  0.5129  0.0077  1
  Te  Te3  1  0.1225  0.1128  0.7761  1
  Se  Se4  1  0.3569  0.8663  0.2342  1
  Se  Se5  1  0.6387  0.6467  0.7625  1
  Se  Se6  1  0.8815  0.3679  0.2344  1
]