data_BeCrTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCrTe2
_chemical_formula_sum   'Be1 Cr1 Te2'
_cell_volume   77.97
_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
  Be  Be0  1  0.0  0.0  0.03  1.0
  Cr  Cr1  1  0.64  0.64  0.1  1.0
  Te  Te2  1  0.0  0.0  0.5  1.0
  Te  Te3  1  0.64  0.64  0.55  1.0

data_BeCrTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeCrTe2
_chemical_formula_sum   'Be2 Cr2 Te4'
_cell_volume   155.94
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Be  Be0  2  0.0  0.0  0.03  1.0
  Cr  Cr1  2  0.14  0.5  0.1  1.0
  Te  Te2  2  0.0  0.0  0.5  1.0
  Te  Te3  2  0.14  0.5  0.55  1.0

Be Cr Te Te
Be Cr Te Te 0 1 - - o 2 3 - - o 