data_MgCoTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   145.11
_cell_angle_beta   145.11
_cell_angle_gamma   50.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCoTe2
_chemical_formula_sum   'Mg1 Co1 Te2'
_cell_volume   91.76
_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  Mg1  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.0  0.97  0.97  1.0
  Te  Te2  1  0.97  0.0  0.97  1.0
  Te  Te3  1  0.0  0.0  0.94  1.0

data_MgCoTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   6.56
_cell_angle_alpha   107.45
_cell_angle_beta   107.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCoTe2
_chemical_formula_sum   'Mg1 Co1 Te2'
_cell_volume   91.76
_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  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.97  0.0  1.0
  Te  Te2  1  0.94  0.94  0.94  1.0
  Te  Te3  1  0.97  0.0  0.0  1.0

Mg Co Te Te
Mg Co Te Te 0 2 - o - 0 1 o - - 0 3 o o - 1 3 o + o 2 3 + o o 