data_[Mg1Mn1Te3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6069]
_cell_length_b [5.4709]
_cell_length_c [19.0975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [108.6770]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgMnTe3]
_chemical_formula_sum '[Mg1 Mn1 Te3]'
_cell_volume [455.9748]
_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
[
  Mg  Mg0  1  0.0850  0.2653  0.5701  1
  Mn  Mn1  1  0.7760  0.5817  0.4771  1
  Te  Te2  1  0.2967  0.6145  0.4022  1
  Te  Te3  1  0.6844  0.5224  0.6168  1
  Te  Te4  1  0.8351  0.1035  0.4337  1
]